[ CAS No. 280-57-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type	HazMat fee for 500 gram (Estimated)
Excepted Quantity	USD 0.00
Limited Quantity	USD 15-60
Inaccessible (Haz class 6.1), Domestic	USD 80+
Inaccessible (Haz class 6.1), International	USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 100+
Accessible (Haz class 3, 4, 5 or 8), International	USD 200+

2D 3D

Structure of 280-57-9 * Storage: {[proInfo.prStorage]}

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	Login	Inquiry	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price) ]}	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate,item.pr_is_large_size_no_price) ]}	{[ item.pr_usastock ]}		{[ item.pr_chinastock ]}	{[ item.pr_remark ]}	Login		Inquiry

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

For Research Only 120K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 280-57-9 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 280-57-9 ]

SDS Specification

Alternatived Products of [ 280-57-9 ]

Product Details of [ 280-57-9 ]

CAS No. :	280-57-9	MDL No. :	MFCD00006689
Formula :	C₆H₁₂N₂	Boiling Point :	-
Linear Structure Formula :	[N(CH₂)₃]₂	InChI Key :	IMNIMPAHZVJRPE-UHFFFAOYSA-N
M.W :	112.17	Pubchem ID :	9237
Synonyms :

Calculated chemistry of [ 280-57-9 ] Expand+

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	40.35
TPSA :	6.48 ?2

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.09 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.66
Log Po/w (XLOGP3) :	-0.15
Log Po/w (WLOGP) :	-1.14
Log Po/w (MLOGP) :	0.21
Log Po/w (SILICOS-IT) :	0.56
Consensus Log Po/w :	0.23

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.44
Solubility :	40.6 mg/ml ; 0.362 mol/l
Class :	Very soluble
Log S (Ali) :	0.47
Solubility :	330.0 mg/ml ; 2.94 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.15
Solubility :	78.9 mg/ml ; 0.703 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.56

Safety of [ 280-57-9 ]

Signal Word:	Danger	Class:	4.1
Precautionary Statements:	P210-P240-P241-P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P332+P313-P370+P378-P501	UN#:	1325
Hazard Statements:	H228-H302-H315-H318	Packing Group:	Ⅱ
GHS Pictogram:

Application In Synthesis of [ 280-57-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 280-57-9 ]
Downstream synthetic route of [ 280-57-9 ]

[ 280-57-9 ] Synthesis Path-Upstream 1~2

1
[ 280-57-9 ]
[ 75-09-2 ]
[ 36273-11-7 ]

Yield	Reaction Conditions	Operation in experiment
96%	Reflux	1,4-Diazabicyclo[2.2.2]octane(DABCO) (11.2g, 0.1mol) was added to 30 mL of DCM and the reaction mixture was stirred overnight in reflux condition. The resulting white solid was filtered, washed with DCM (2 × 20mL) and dried under vacuum to give 1-(chloromethyl)-4-aza-1-azoniabicyclo[2.2.2]octanechloride in 96percent yield (18.7 g).1-(chloromethyl)-4-aza-1-azoniabicyclo[2.2.2]octanechloride:¹H-NMR (500 MHz, D₂O)δ 4.97 (s, 2H), 3.40 (t, J = 7.0 Hz, 6H), 3.10 (t, J = 7.5 Hz, 6H); ¹³C-NMR(125 MHz, D₂O) δ 68.2, 51.1, 43.9.
68%	at 20℃; for 48 h; Inert atmosphere	1 ,4-Diazabicyclo[2.2.2]octane (0.50 g, 4.46 mmol) was solubilised in CH₂CI₂ and acetone (5 mL, 1 :1) and the mixture was left to stand, without stirring, under an atmosphere of argon for 48 h at r.t. The resulting white precipitate formed was filtered and washed with acetone (2 x 10 mL) to afford 24 as white solid (0.60 g, 68percent); IR (v, KBr/cm^" ): 1 107, 723; H NMR (500 MHz, D₂0) δ: 3.25 (t, J = 7.6 Hz, 6H, H3, H5, H7), 3.55 (t, J = 7.6 Hz, 6H, H2, H6, H8), 5.12 (s, 2H, CH₂CI); ³C NMR (125.8 MHz, D₂0) δ: 44.3 (C3, C5, C7), 51 .6 (C2, C6, C8), 68.6 (CH₂CI); mp 145-147 °C; HRMS (Fl)⁺: m/z calcd for C₇H₁₄CI₂N₂ [ ]⁺ 197.1 108, found 196.0534.

Reference： [1] Tetrahedron Letters, 2014, vol. 55, # 49, p. 6643 - 6646
[2] Journal of Organic Chemistry, 2017, vol. 82, # 22, p. 11792 - 11798
[3] Journal of Fluorine Chemistry, 1996, vol. 81, # 1, p. 43 - 50
[4] Chinese Journal of Chemistry, 2015, vol. 33, # 2, p. 220 - 224
[5] Patent: WO2014/68341, 2014, A2, . Location in patent: Page/Page column 39
[6] Crystal Growth and Design, 2012, vol. 12, # 2, p. 714 - 724
[7] Tetrahedron Letters, 2014, vol. 55, # 15, p. 2401 - 2405
[8] European Journal of Organic Chemistry, 2015, vol. 2015, # 23, p. 5084 - 5088

2
[ 280-57-9 ]
[ 75-09-2 ]
[ 36273-11-7 ]
[ 104303-92-6 ]

Reference： [1] Tetrahedron, 1986, vol. 42, # 2, p. 601 - 608

[ 280-57-9 ] Synthesis Path-Downstream 1~20

1
[ 280-57-9 ]
[ 216309-28-3 ]
[ 211308-79-1 ]
[ 664991-71-3 ]

Yield	Reaction Conditions	Operation in experiment
35%	bis-triphenylphosphine-palladium(II) chloride; In DMF (N,N-dimethyl-formamide); at 110℃; for 16h;Heating / reflux;	[5-METHYL-3-PYRIMIDIN-5-YL-2- (TRIMETHYLSILYL)-LH-PYRROLOF2, 3-B1PYRIDINE] A mixture of [3-IODO-5-METHYLPYRIDIN-2-AMINE] (2.0 g, 8.64 [MMOL),] bis (triphenylphosphine) palladium (II) chloride [(0. 48] g, 0.58 mmol), [1,] 4-diazabicyclo (2,2, 2) octane (1.66 g, 14.8 [MMOL), 5-[(TRIMETHYLSILYL) ETHYNYL] PYRIMIDINE] (1.97 g, 11.2 mmol) and N, N-dimethylformamide (10 ml) was heated to [110 C] for 16 h. The reaction mixture was evaporated and the crude product was purified by column chromatography (silica gel, ethyl acetate-heptane gradient from 0: 100 to 100: 0) to yield the subtitle compound (0.86 g, 35%). 1H-NMR (400 MHz, DMSO-d6) : [8] 11.75 (s, 1H), 9.40 (s, 1H), 8.83 (s, 2H), 8.16 (d, [J] 1. 7 Hz, 1H), 7.64-7. 62 (m, [1H),] 2.34 (s, 3H), 0.44 (s, 9H). APCI-MS m/z: 283.2 [[MH+].]

Reference： [1]Patent: WO2004/16609,2004,A1 .Location in patent: Page 46

2
[ 280-57-9 ]
[ 175712-18-2 ]
[ 93107-30-3 ]
[ 175712-03-5 ]

Yield	Reaction Conditions	Operation in experiment
	In N-methyl-acetamide; water; acetonitrile;	EXAMPLE 1 STR14 265 mg (1 mmol) of 1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid are heated under reflux in a mixture of 4 ml of acetonitrile and 2 ml of dimethylformamide with 170 mg (1.5 mmol) of 1,4-diazabicyclo[2.2.2]octane and 210 mg (1.1 mmol) of 86percent pure 4-aza-tricyclo[5.2.2.02,6 ]undec-8-en-1-ylamine for 1 hour. The mixture is concentrated, the residue is stirred with 40 ml of water (pH=7) and the precipitate which has separated out is filtered off with suction, washed with water and dried at 80° C. under a high vacuum. Yield: 286 mg (70percent of theory) of 7-(1-amino-4-aza-tricyclo[5.2.2.02,6 ]undec-8-en-4-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid, Melting point: 272°-274° C. (with decomposition).

Reference： [1]Patent: US5605910,1997,A

3
[ 280-57-9 ]
3-amino-1-(4,6-dimethylpyrimidin-2-yl)-2-pyrazoline [ No CAS ]
[ 26638-43-7 ]
1-(4,6-dimethylpyrimidin-2-yl)-3-(N,N-bis-(2-methoxycarbonyl-phenylsulphonyl)amino)-pyrazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In dichloromethane; ethyl acetate;	Preparation of the compound listed in Table 6 as Example (IA-209): STR712 20.2 g (0.18 mol) of 1,4-diazabicyclo-[2,2,2]-octane (DABCO) are added to a stirred mixture which has been cooled to 0 C. of 5.73 g (0.03 mol) of 1-(4,6-dimethylpyrimidin-2-yl)-3-amino-2-pyrazoline, 31.3 g (0.12 mol) of 2-methoxycarbonyl-benzenesulphonyl chloride and 200 ml of methylene chloride, and the reaction mixture is stirred for 18 hours at 20 C. under atmospheric pressure, with contact to atmospheric oxygen. The reaction solution is then washed with water and is dried over sodium sulphate. The mixture is filtered and evaporated, and the residue is crystallized using ethyl acetate. The crystalline product is isolated by filtering off with suction. 5.9 g (33% of theory) of 1-(4,6-dimethylpyrimidin-2-yl)-3-(N,N-bis-(2-methoxycarbonyl-phenylsulphonyl)amino)-pyrazole of melting point 177 C. are obtained.

Reference： [1]Patent: US4941912,1990,A

4
[ 280-57-9 ]
[ 93107-30-3 ]
[ 79286-79-6 ]
[ 90-02-8 ]
7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-3-quinolinecarboxylic acid hydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In N-methyl-acetamide; hydrogenchloride; ethanol; water; acetonitrile;	EXAMPLE 8 STR50 1.34 g 11 mmol) of salicylaldehyde are added to 0.86 g (10 mmol) of 3-aminopyrrolidine, the mixture is stirred at room temperature for about 10 minutes and the viscous reaction product is dissolved in a mixture of 20 ml of acetonitrile and 10 ml of dimethylformamide. After addition of 2.2 g (20 mmol) of 1,4-diazabicyclo[2.2.2]octane and 2.65 g (10 mmol) of 1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid, the mixture is heated under reflux for 1 hour and cooled, and the reaction product which has crystallized out is filtered off with suction, washed with acetonitrile and dissolved in 30 ml of half-concentrated hydrochloric acid. The solution is concentrated, the residue is stirred with acetonitrile, the undissolved material is dissolved in 30 ml of water under the influence of heat, the solution is filtered and 100 ml of ethanol are added to the filtrate. The hydrochloride which has precipitated is filtered off with suction, washed with ethanol and dried. Yield: 2.6 g (70.7percent of theory) of 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-3-quinolinecarboxylic acid hydrochloride; melting point: 310° C.-317° C. (with decomposition). The reaction proceeds in an analogous manner if benzaldehyde, 2-chlorobenzaldehyde, 3-chlorobenzaldehyde, 2,4-dichlorobenzaldehyde, 2-methylbenzaldehyde, 4-methylbenzaldehyde, 4-chlorobenzaldehyde, 4-fluorobenzaldehyde or 3,4-difluorobenzaldehyde is used instead of the salicylaldehyde.

Reference： [1]Patent: US5061712,1991,A

5
[ 280-57-9 ]
[ 5625-67-2 ]
[ 93107-30-3 ]
[ 103237-52-1 ]

Yield	Reaction Conditions	Operation in experiment
	In methanol; dimethyl sulfoxide;	EXAMPLE 1 STR9 5.3 g (20 mmol) of 1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid are initially introduced into 50 ml of DMSO and heated with 2.4 g (24 mmol) of 2-piperazinone and 4.4 g (40 mmol) of 1,4-diazabicyclo[2.2.2]octane at 130° C. for 1 hour. After cooling, the suspension is adjusted to pH 5 with 2 N hydrochloric acid, 50 ml of water are added, and the precipitate is filtered off with suction, washed with water and methanol, and then boiled in 50 ml of methanol. 5 g (72percent of theory) of 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(3-oxo-1-piperazinyl)-3-quinolinecarboxylic acid of melting point 342°-348° C. (decomposition) and purity 97percent (HPLC) are isolated. Mass spectrum: m/e 345 (M+), 301 (94percent, M+--CO2), 231 (M+--C 3 H4 NO), 202, 44 (100percent, CO2). NMR (CF3 COOH)=delta1.45 and 1.7 broad (4H in the cyclopropyl radical), 3.9 and 4.0 broad (5H, N--CH in the cyclopropyl radical, N--CH2 CH2 --N), 4.6 broad (2H, CO--CH2 --N), 7.85 d (1H, on C-8), 8.28 d (1H, on C-5), 9.3 s (1H, on C-2).

Reference： [1]Patent: US4588726,1986,A

6
[ 280-57-9 ]
[ 40004-69-1 ]
[ 60971-72-4 ]

Yield	Reaction Conditions	Operation in experiment
96.0% and 92.8%	In 5,5-dimethyl-1,3-cyclohexadiene;	EXAMPLE 14 In a similar apparatus to Example 1, 10.0 g (0.07 mole) of <strong>[40004-69-1]2-methylthiazole-5-carboxylic acid</strong> were suspended in 100 ml of xylene, followed by the addition of 0.03 g of triethylenediamine. Under heating and reflux, phosgene was blown at a rate of 930 ml/hr for 6 hours (0.25 mole). After completion of the blowing, stirring was continued for additional 2 hours. After completion of the reaction, the reaction mixture was filtered and the filtrate was concentrated to obtain 10.5 g of <strong>[40004-69-1]2-methylthiazole-5-carboxylic acid</strong> chloride. Its purity and yield were 96.0percent and 92.8percent, respectively.

Reference： [1]Patent: US5136042,1992,A

7
[ 280-57-9 ]
1-(tert.-butyl)piperazine dihydrochloride [ No CAS ]
[ 93107-30-3 ]
7-(4-tert.-butyl-1-piperazinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; In pyridine; water;	STR19 2.2 g (20 mmol) of 1,4-diazabicyclo[2,2,2]octane are added to a mixture of 1.33 g (5 mmol) of 1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid and 1.1 g (5 mmol) of 1-(tert.-butyl)piperazine dihydrochloride in 12.5 ml of pyridine, and the mixture is heated under reflux for 3 hours. It is concentrated in vacuo, the residue is stirred with 25 ml of water and the pH is brought to 5 with 2N hydrochloric acid. The precipitate which has separated out is filtered off with suction, washed with water and recrystallized from glycol monomethyl ether. 1.45 g (75percent of theory) of 7-(4-tert.-butyl-1-piperazinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid of melting point 257°-260° are obtained.

Reference： [1]Patent: US4806539,1989,A

8
[ 280-57-9 ]
[ 81403-60-3 ]
[ 1668-54-8 ]
N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)aminocarbonyl][1,1'-biphenyl]-2-sulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In 5,5-dimethyl-1,3-cyclohexadiene; acetonitrile;	EXAMPLE 5 STR17 14.0 g of <strong>[1668-54-8]2-amino-4-methoxy-6-methyl-1,3,5-triazine</strong> were suspended in 100 ml of dry acetonitrile, and then 0.1 g of 1,4-diazabicyclo[2,2,2]octane was added thereto. To this mixture was added dropwise a solution of 28.5 g of 2-biphenylylsulfonyl isocyanate in 30 ml of xylene over an hour. During this addition, the reaction was accompanied by slight heat generation, and therefore cooling was applied as necessary. After the addition, the reaction was continued at room temperature for 5 hours and then at 40° C. for 5 hours. After allowing the mixture to cool to room temperature, the precipitated colorless crystals were filtered, washed with ether and dried to obtain 33.9 g of N-2-biphenylylsulfonyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea; m.pt. 190°-193° C.

Reference： [1]Patent: US4500342,1985,A

9
[ 280-57-9 ]
[ 93107-30-3 ]
1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-pyrrolidinyl)-4-oxo-3-quinolinecarboxylic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; In 2-methoxy-ethanol; water; dimethyl sulfoxide;	EXAMPLE 2 2.65 g (10 mmol) of 1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid are heated at 130° C. for 3 hours in 6 ml of dimethyl sulphoxide together with 1 g (11 mmol) of 3-hydroxypyrrolidine (racemate) and 2.2 g (20 mmol) of 1,4-diazabicyclo[2.2.2]octane. After cooling down, the suspension is stirred up with 30 ml of water and brought to pH 6-7 with 2N hydrochloric acid, and the precipitate is filtered off with suction, washed with water and boiled up in 30 ml of glycol monomethyl ether. This gives 2.7 g (81percent of theory) of 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-pyrrolidinyl)-4-oxo-3-quinolinecarboxylic acid having a melting point of 332°-336° C. (with decomposition). According to thin layer chromatography the compound is identical to the compound of Example 1.

Reference： [1]Patent: US4820716,1989,A

10
[ 280-57-9 ]
[ 93107-30-3 ]
3-hydroxypyrrolidine hydrochloride [ No CAS ]
1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-pyrrolidinyl)-4-oxo-3-quinolinecarboxylic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; In N-methyl-acetamide; water; acetonitrile;	EXAMPLE 1 STR9 To 7.95 g (30 mmol) of 1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid in a mixture of 60 ml of acetonitrile and 30 ml of dimethylformamide are added 3.9 g (31 mmol) of 3-hydroxypyrrolidine hydrochloride (racemate) and 9.9 g (88 mmol) of 1,4-diazabicyclo[2.2.2]octane, and the mixture is refluxed for 3 hours. The suspension is concentrated, the residue is stirred up with about 100 ml of water, and the mixture is brought to pH 6-7 with 2N hydrochloric acid. The undissolved reaction product is filtered off with suction, washed with water and dried. Yield: 9.3 g (93.3percent of theory) of 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-pyrrolidinyl)-4-oxo-3-quinolinecarboxylic acid having a melting point of 325° C.-328° C. (with decomposition).

Reference： [1]Patent: US4820716,1989,A

11
[ 280-57-9 ]
[ 14704-31-5 ]
[ 69605-91-0 ]

Yield	Reaction Conditions	Operation in experiment
54.4%	In acetonitrile;	The dry mixture was then cooled to 60, and a solution of <strong>[14704-31-5]3-bromomethylbiphenyl</strong> (7.5 g, 0.032 mole) and 0.1 g of 1,4-diazabicyclo[2.2.2]octane in 60 ml of acetonitrile was added. 3-Bromomethylbiphenyl may be prepared according to the method of M. Gomberg and J. C. Pernert, J. Am. Chem. Soc., 48, 1372 (1926) and H. O. Huisman, et al., Rec. Trav. Chim., 71, 899 (1951). The mixture was then heated under reflux for 5.5 hours. After cooling to room temperature, the reaction mixture was contacted with 100 g of ice in a separatory funnel, and when the ice had melted the phases were separated. The aqueous phase was saturated with sodium chloride before being extracted twice with 100 ml portions of heptane. The heptane extracts and the organic phase were combined, and the combined organic phase was washed with one 200 ml portion of a saturated sodium chloride solution. The solvent was removed from the organic phase using a rotary evaporator, leaving an oily, straw-colored residue weighing 9.9 g. The oil was distilled in a short path, air-bath heated Kugelrohr distillation apparatus at a pressure of 0.25 mm. After removing low boilers from the oil at a temperature below 145, [1,1'-biphenyl]-3-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate (6.5 g, 54.4% yield) was obtained at a temperature of 165-175.

Reference： [1]Patent: US4130657,1978,A

12
[ 280-57-9 ]
[ 16370-63-1 ]
[ 64900-65-8 ]
[ 64902-63-2 ]

Yield	Reaction Conditions	Operation in experiment
	In dichloromethane;	EXAMPLE 3 N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)aminocarbonyl]-2-chlorobenzenesulfonamide To 15.6 g of <strong>[16370-63-1]2-amino-4,6-dimethoxy-1,3,5-triazine</strong> in 300 ml of dry methylene chloride containing 0.1 g 1,4-diazabicyclo[2,2,2]octane was added 21 g 2-chlorobenzenesulfonyl isocyanate with stirring. The mixture was stirred for 16 hours and the resultant solid was removed by filtration. After washing the solid with 1-chlorobutane, the resulting product, N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-aminocarbonyl]-2-chlorobenzenesulfonamide melted at 188-189 C. Infrared absorption analysis showed absorption peaks at 1740 cm-1, 1630 cm-1 and 1595 cm-1 which are typical for this type of compound. By using the procedure of Examples 1-3 with an equivalent amount of the appropriate aminotriazine and the appropriately substituted sulfonyl isocyanate, the compounds given in Table I can be prepared:

Reference： [1]Patent: US4127405,1978,A

13
[ 280-57-9 ]
[ 499-49-0 ]
[ 7732-18-5 ]
zinc(II) cation [ No CAS ]
[Zn₄(5-methylisophthalic acid^(2-))4(1,4-diazabicyclo[2.2.2]octane)(H₂O)2] [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2008,vol. 130,p. 800 - 801

14
[ 280-57-9 ]
copper(ll) sulfate pentahydrate [ No CAS ]
[ 3906-87-4 ]
[Cu₂(2-fluoroterephthalate)2(triethylenediamine)]n [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2010,vol. 132,p. 4917 - 4924

15
[ 280-57-9 ]
[ 130-85-8 ]
C₆H₁₂N₂*C₂₃H₁₆O₆*2H₂O [ No CAS ]

Reference： [1]Chemical Communications,2012,vol. 48,p. 11507 - 11509

16
[ 280-57-9 ]
[ 130-85-8 ]
2C₆H₁₂N₂*C₂₃H₁₆O₆*3H₂O [ No CAS ]

Reference： [1]Chemical Communications,2012,vol. 48,p. 11507 - 11509

17
[ 280-57-9 ]
[ 72509-76-3 ]
C₁₈H₁₉Cl₂NO₄*C₆H₁₂N₂ [ No CAS ]

Reference： [1]Acta Crystallographica, Section C: Crystal Structure Communications,2012,vol. 68,p. o456-o458

18
[ 280-57-9 ]
[ 75-15-0 ]
[ 6274-22-2 ]
C₉H₁₀N₂OS₂*C₆H₁₂N₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In acetone; at 20℃;	General procedure: CS2 (50 mL) was added to a stirring mixture of DABCO (30 mmol) and amine (10 mmol) in acetone (10 mL). The resulting mixture was further stirred at room temperature to achieve dithiocarbamate, and the process of the reaction was monitored by TLC. After completion of the reaction, the solution was filtered and the solid was washed with acetone. After it was dried in an infrared-ray oven, the salt was dissolved in dried CHCl3 (10 mL) and the mixture was chilled to 0-5 C in an ice bath. BTC (1010 mg, 3.4 mmol), dissolved in CHCl3 (5 mL), was added dropwise for 30 min with constant stirring. The reaction mixture was then allowed to reach room temperature and stirred for a further 4 h. Triethylenediammmonium hydrochloride was filtered off, and the filtrate was evaporated in vacuo to afford the desired isothiocyanate in good purity. All products were identified by comparison with authentic samples.

Reference： [1]Synthetic Communications,2013,vol. 43,p. 3342 - 3351

19
[ 280-57-9 ]
[ 75-15-0 ]
[ 157869-15-3 ]
(x)C₆H₁₂N₂*C₁₆H₁₃NOS₂ [ No CAS ]

Reference： [1]Advanced Synthesis and Catalysis,2017,vol. 359,p. 1373 - 1378

20
[ 280-57-9 ]
[ 632-24-6 ]
C₇H₆NO₄S^(1-)*C₆H₁₃N₂⁽¹⁺⁾ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In ethylene glycol; at 17℃;	6 g (30 mmol ) of <strong>[632-24-6]2-sulfamoylbenzoic acid</strong> were mixed with 7.4 g of ethyleneglycol to give a white suspension which was cooled down to 17C. 3.4 g (30 mmol) DABCO were added dropwise to give a white suspension. 2 g additional ethyleneglycol were then added. Stir- ring was continued over night to give a colorless solution.13C-NMR (DMSO, 400 MHz, delta ppm): 172, 140.5, 140, 132, 130, 128.5, 126, 63.5 (ethyleneglycol), 44.5.

Reference： [1]Patent: WO2017/85252,2017,A1 .Location in patent: Page/Page column 36

Recommend Products

Same Skeleton Products

Related Products

Isomers

Technical Information

? Halogenation ? Heat of Combustion ? Reactions of Amines

Historical Records

Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

[ CAS No. 280-57-9 ] {[proInfo.proName]}

Quality Control of [ 280-57-9 ]

Related Doc. of [ 280-57-9 ]

Product Details of [ 280-57-9 ]

Calculated chemistry of [ 280-57-9 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 280-57-9 ]

Application In Synthesis of [ 280-57-9 ]

[ 280-57-9 ] Synthesis Path-Upstream 1~2

[ 280-57-9 ] Synthesis Path-Downstream 1~20

Technical Information

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry