[ CAS No. 927-74-2 ] {[proInfo.proName]}

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Quality Control of [ 927-74-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 927-74-2 ]

SDS Specification

Alternatived Products of [ 927-74-2 ]

Product Details of [ 927-74-2 ]

CAS No. :	927-74-2	MDL No. :	MFCD00002955
Formula :	C₄H₆O	Boiling Point :	-
Linear Structure Formula :	HC₂CH₂CH₂OH	InChI Key :	OTJZCIYGRUNXTP-UHFFFAOYSA-N
M.W :	70.09	Pubchem ID :	13566
Synonyms :

Calculated chemistry of [ 927-74-2 ] Expand+

Physicochemical Properties

Num. heavy atoms :	5
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	20.67
TPSA :	20.23 ?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) :	-6.64 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.45
Log Po/w (XLOGP3) :	0.12
Log Po/w (WLOGP) :	0.08
Log Po/w (MLOGP) :	0.6
Log Po/w (SILICOS-IT) :	0.27
Consensus Log Po/w :	0.5

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	3.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.28
Solubility :	36.4 mg/ml ; 0.52 mol/l
Class :	Very soluble
Log S (Ali) :	-0.1
Solubility :	55.6 mg/ml ; 0.793 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.05
Solubility :	62.0 mg/ml ; 0.885 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.93

Safety of [ 927-74-2 ]

Signal Word:	Danger	Class:	3
Precautionary Statements:	P261-P305+P351+P338	UN#:	1987
Hazard Statements:	H225-H315-H319-H335	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 927-74-2 ]

* 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 [ 927-74-2 ]
Downstream synthetic route of [ 927-74-2 ]

[ 927-74-2 ] Synthesis Path-Upstream 1~4

1
[ 5029-67-4 ]
[ 927-74-2 ]
[ 395652-44-5 ]

Yield	Reaction Conditions	Operation in experiment
67%	With potassium phosphate In water; isopropyl alcohol at 80℃; for 20 h; Sealed tube	General procedure: In a sealed tube, aryl iodide (1 mmol, 1 equiv.), K3PO4(2 mmol,2 equiv.), catalyst (2 molpercent Pd) were suspended in i-PrOH (3 mL)and H2O (3 mL). The acetylene derivative (1.2 mmol, 1.2 equiv.)was added and the resulting mixture was stirred at 80C for 20 h.After cooling to room temperature, EtOAc (20 mL) and H2O (20 mL)were added and the mixture was filtered over a pad of Celite?.The aqueous layer was extracted twice with EtOAc (2 × 20 mL). Thecollected organics extracts were washed by brine (60 mL), driedon MgSO4, filtered and concentrated under reduced pressure. Thecrude product was purified by flash chromatography.

Reference： [1] Applied Catalysis A: General, 2014, vol. 482, p. 157 - 162

2
[ 109-04-6 ]
[ 927-74-2 ]
[ 395652-44-5 ]

Yield	Reaction Conditions	Operation in experiment
90%	With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In 1,4-dioxane at 20℃; Inert atmosphere	Under nitrogen atmosphere, and at r.t., CuT (0.06 g, 0.31 mmol), dry Et3N (1.32 mL, 9.49 mmol) and bis-(triphenylphosphine)-palladium chloride (0.13 g, 0.18 mmol) were sequentially added to a solution of 2-bromopyridine (0.60 mL, 6.33 mmol) in 1,4-dioxane (10 mL). Then, but-3-yn-1-ol (0.57 mL, 7.59 mmol) was added dropwise at the same temperature.The resulting reaction mixture was left stirred overnight, then concentrated under reduced pressure, dissolved in EtOAc (80 mL) and washed with H20 (3 x 10 mL). The organic layer was dried over Na2504 and concentrated to dryness to give an oily crude (1.1 g). Purification by typical silica gel flash chromatography using a Teledyne ISCO apparatus (Cy/EtOAc from 90:10 to 30:70) afforded the pure title compound (0.84 g, 90percent), as a white solid. R= 1.25 mm. MS(ESI) m/z: 148 EM-H], 170 EM-Na], 186 EM-K]. ‘H NMR (DMSO-d6): ? 8.55—8.49 (m, 1H),7.76 (td, 1H, J= 7.8, 1.8 Hz), 7.44 (d, 1H, J= 7.8 Hz), 7.33 (ddd, 1H, J= 7.8, 4.9, 1.8 Hz), 4.92 (t, 1H, J= 5.2 Hz), 3.62-3.58 (m, 2H), 2.58 (t, 2H, J= 6.8 Hz).
77%	at 0 - 70℃;	Example 199 ;3 -Methoxy- N -methyl- N -( 4-(pyridin- 2-yl)but - 3 -ynyl)benzamide; 199(A) 4-(Pyridin-2-yl)but-3-yn-1-01; To a suspension of CuI (301 mg, 1.58 mmol) in TEA (40 mL) were added 2- bromopyridine (5 g, 31.6 mmol), followed by Pd2Cl2(PPh3)2 (1.11 g, 1.58 mmol) to give a yellow orange suspension. After cooling down to 0°C under N2, 3-butyn-l-ol (2.28 g, 31.6 mmol) was added. The resulting reaction mixture turned black and it was stirred overnight at 70°C. The reaction mixture was quenched at 0°C with water, TEA was removed under low pressure, and the organic layer was extracted 3x using DCM, washed with Ammonia, water, brine, dried over MgS04, filtered and concentrated. The crude residue was purified over silicagel chromatography (prepacked 250 g silicagel column, DCM/MeOH : from 99/1 to 95/5 as eluent) to afford 3.60 g of 4- (pyridin-2-yl)but-3-yn-1-ol as a brown oil (Yield : 77percent). LCMS (RT) : 1.58min; MS (ES+) gave m/z : 148 Rf (DCM/MeOH : 95/5) =0.23

Reference： [1] Tetrahedron Letters, 2005, vol. 46, # 10, p. 1717 - 1720
[2] Journal of Organic Chemistry, 2003, vol. 68, # 3, p. 762 - 769
[3] Patent: WO2014/144836, 2014, A2, . Location in patent: Paragraph 0526; 0527
[4] European Journal of Organic Chemistry, 2011, # 2, p. 271 - 279
[5] Patent: WO2005/123703, 2005, A2, . Location in patent: Page/Page column 207
[6] Molecules, 2010, vol. 15, # 12, p. 9157 - 9173
[7] Journal of Organic Chemistry, 2003, vol. 68, # 8, p. 3327 - 3329
[8] Bioorganic and Medicinal Chemistry Letters, 2001, vol. 11, # 8, p. 1077 - 1080

3
[ 927-74-2 ]
[ 395652-44-5 ]

Yield	Reaction Conditions	Operation in experiment
74%	Stage #1: at 20℃; Stage #2: at 20 - 80℃; for 20.5 h;	Example 32; 2-(4-(5-PhgpEl-2H-tetrazol-2-yl)but-1-3TY1)pyLidine; 32(A) 4-(Pyridin-2- )but-3-yn-1-ol; In a dry reaction tube containing in suspension iodide copper (38 mg, 0.2 mmol) and triethylamine (11 mL, 80 mmol), were added 2-bromopyridine (632 mg, 4 mmol) and Pd (PPh3)2Cl2 (140 mg, 0.2 mmol). A yellow suspension is obtained and after a few minutes of stirring at room temperature, was added a solution of but-3-yn-1-ol (280 mg, 4 mmol) in triethylamine (2.2 mL). Immediatly the color of the reaction turns to black. The mixture was stirred at room temperature for 30 min and then at 80°C for 20h. Triethylamine was concentrated under reduced pressure and the residue was dissolved in DCM. The organic layer was washed with saturated NH4CI, water and brine, dried (MgS04) and concentrated. The product was purified by flash chromatography (prepacked 15 g silicagel column, from DCM 100percent to DCM/MeOH : 98/2 as eluent) to afford 440 mg of 4-(pyridin-2-yl)but-3-yn-l-ol (Yield : 74percent) as brown oil. Rf:(DCM/MeOH : 95/5) = 0.5 LCMS (RT) : 0.60min; MS (ES+) gave m/z : 148.1

Reference： [1] Patent: WO2005/123703, 2005, A2, . Location in patent: Page/Page column 103-104

4
[ 4930-98-7 ]
[ 927-74-2 ]
[ 395652-44-5 ]

Reference： [1] Green Chemistry, 2018, vol. 20, # 21, p. 4859 - 4864

[ 927-74-2 ] Synthesis Path-Downstream 1~16

1
[ 927-74-2 ]
[ 211029-67-3 ]
[3-(4-Hydroxy-but-1-ynyl)-pyridin-4-yl]-carbamic acid tert-butyl ester [ No CAS ]

Reference： [1]Tetrahedron Letters,1998,vol. 39,p. 5159 - 5162

2
[ 1120-87-2 ]
[ 927-74-2 ]
[ 192643-83-7 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2001,vol. 11,p. 1077 - 1080

3
[ 927-74-2 ]
[ 460746-47-8 ]
[ 460746-48-9 ]

Yield	Reaction Conditions	Operation in experiment
80%	With diisopropylamine;copper(l) iodide; palladium diacetate; triphenylphosphine; In Isopropyl acetate; at 15 - 40℃; for 10.5h;	The product from Example 1A (3.1 kg, 9.68 mol) in isopropyl acetate (49.2 kg) was purged with N2 for about 10 minutes and then cooled to about 15 C. The mixture was treated with palladium(II) acetate (22 g, 0.10 mol), triphenylphosphine, (51 g, 0.19 mol), copper(I) iodide (38 g, 0.19 mol), and 3-butyn-1-ol (0.91 kg, 12.59 moles) while continuing to purge with N2.The mixture was then treated with diisopropylamine (1.97 kg, 19.37 mol), by addition over about 30 minutes.After 2 hours, the suspension was heated to about 40 C. After about 8 hours, the reaction mixture was cooled to room temperature and filtered through a pad of Celite.The pad was washed with isopropyl acetate (12 kg) and the filtrate was washed with 5% NaHCO3 solution and then washed with water.The organic layer was then distilled to dryness.The residue (2.03 kg, 80% assayed yield) was carried onto the tosylation step.A small sample was purified by silica gel chromatography. 1H NMR (CDCl3 at 400 MHz) delta1.81 (t, 1H), 3.07 (t, 2H), 4.01 (q, 2H), 6.56 (s, 1H) 7.41-7.50 (m, 2H), 7.67 (m, 5H); 13C NMR (CDCl3 at 100 MHz) delta32.3, 60.6, 103.6, 110.1, 111.2, 118.8, 119.0, 122.8, 127.6, 129.3, 132.2, 133.8, 145.8, 154.6, 157.0 with 2 peaks overlapping.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 689 - 693
[2]Journal of Medicinal Chemistry,2005,vol. 48,p. 38 - 55
[3]Patent: US2004/54185,2004,A1 .Location in patent: Page 9
[4]Organic Process Research and Development,2005,vol. 9,p. 45 - 50

4
[ 7379-35-3 ]
[ 927-74-2 ]
[ 192643-83-7 ]

Reference： [1]Tetrahedron Letters,2005,vol. 46,p. 1717 - 1720

5
[ 2296-23-3 ]
[ 927-74-2 ]
[ 919088-04-3 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 6043 - 6048

6
bis(triphenylphosphine)palladium(II) dichloride [ No CAS ]
[ 927-74-2 ]
[ 460746-47-8 ]
[ 460746-48-9 ]

Yield	Reaction Conditions	Operation in experiment
95%	With copper(I) iodide; triethylamine; In N-methyl-acetamide; dichloromethane;	EXAMPLE 1B 4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]benzonitrile To a solution of Example 1A (5.19 g, 16.2 mmol), triethylamine (5.60 mL, 40.4 mmol) and 3-butyn-1-ol (1.90 g, 27.2 mmol) in dimethylformamide (13 mL) at 20 C. was added cuprous iodide (0.46 g, 2.4 mmol) and bis-triphenylphosphine palladium dichloride (0.56 g, 0.80 mmol). The mixture was stirred at 65 C. for 12 hours then cooled to ambient temperature and diluted with dichloromethane (20 mL) and hexane (100 mL). Celite (5 g) was added with stirring and the solids were removed by filtration. The filtrate was washed with water (600 mL). The organic layer was separated and the aqueous layer extracted with dichloromethane (3*100 mL). The combined organic solution was dried (Na2SO4), filtered and concentrated under reduced pressure to give a tan solid. The solid was chromatographed on silica with 3% methanol in dichloromethane to give the titled compound (4.02 g, 95%). MS (DCI) m/z 263 [M+H]+.
95%	With copper(I) iodide; triethylamine; In N-methyl-acetamide; dichloromethane;	Example 1B 4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]benzonitrile To a solution of Example 1A (5.19 g, 16.2 mmol), triethylamine (5.60 ML, 40.4 mmol) and 3-butyn-1-ol (1.90 g, 27.2 mmol) in dimethylformamide (13 mL) at 20 C. was added cuprous iodide (0.46 g, 2.4 mmol) and bis-triphenylphosphine palladium dichloride (0.56 g, 0.80 mmol). The mixture was stirred at 65 C. for 12 hours then cooled to ambient temperature and diluted with dichloromethane (20 mL) and hexane (100 mL). Celite (5 g) was added with stirring and the solids were removed by filtration. The filtrate was washed with water (600 mL). The organic layer was separated and the aqueous layer extracted with dichloromethane (3*100 mL). The combined organic solution was dried (Na2SO4), filtered and concentrated under reduced pressure to give a tan solid. The solid was chromatographed on silica with 3% methanol in dichloromethane to give the titled compound (4.02 g, 95%). MS (DCI) m/z 263 (M+H)+;
95%	With copper(I) iodide; triethylamine; In N-methyl-acetamide; dichloromethane;	Example 1B 4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]benzonitrile To a solution of Example 1A (5.19 g, 16.2 mmol), triethylamine (5.60 mL, 40.4 mmol) and 3-butyn-1-ol (1.90 g, 27.2 mmol) in dimethylformamide (13 mL) at 20 C. was added cuprous iodide (0.46 g, 2.4 mmol) and bis-triphenylphosphine palladium dichloride (0.56 g, 0.80 mmol). The mixture was stirred at 65 C. for 12 hours then cooled to ambient temperature and diluted with dichloromethane (20 mL) and hexane (100 mL). Celite (5 g) was added with stirring and the solids were removed by filtration. The filtrate was washed with water (600 mL). The organic layer was separated and the aqueous layer extracted with dichloromethane (3*100 mL). The combined organic solution was dried (Na2SO4), filtered and concentrated under reduced pressure to give a tan solid. The solid was chromatographed on silica with 3% methanol in dichloromethane to give the titled compound (4.02 g, 95%). MS (DCI) m/z 263 [M+H]+;

Reference： [1]Patent: US2003/134835,2003,A1
[2]Patent: US2002/169188,2002,A1
[3]Patent: US2002/183309,2002,A1

7
[ 19524-06-2 ]
[ 927-74-2 ]
[ 192643-83-7 ]

Reference： [1]Australian Journal of Chemistry,2008,vol. 61,p. 930 - 940

8
[ 38573-88-5 ]
[ 927-74-2 ]
[ 939043-50-2 ]

Yield	Reaction Conditions	Operation in experiment
	bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; at 20 - 65℃; for 20h;	Intermediate 25; 4-(2,3-Difluorophenyl)-3-butyn-1-ol; To a solution of <strong>[38573-88-5]1-<strong>[38573-88-5]bromo-2,3-difluorobenzene</strong></strong> (10.0 g, 51.82 mmol, Aldrich) in dimethylamine (200 ml) under nitrogen were added Bis(tripheylphenylphosphine)palladium(II) dichloride (0.73 g, 1.037 mmol), copper(I) iodide (0.1 g, 0.525 mmol) and 3-butyn-1-ol (11.76 ml). The temperature was raised from ambient to 65° C. and held there with stirring for 20 h, after which the mixture was cooled and all volatiles removed by rotary evaporation. The residue was partitioned between a mixture of 2N HCl (400 ml), brine (100 ml) and dichloromethane (400 ml). A second 100 ml dichloromethane extract and the layers were separated and aqueous was washed with DCM (100 ml). Extracts were combined and the mixture passed through a hydrophobic frit and evaporated under reduced pressure to give a dark brown oil. This oil was purified using a CombiFlash.(R). Companion.(R). 330 g Redisep.(R). silica column eluting with a gradient of cyclohexane:ether (0 to 100percent) affording the title compound as a light orange oil (9.149).H.p.l.c. Rt=2.76 min.1H nmr (CDCl3) delta: 1.88 (1H, t), 2.75 (2H, t), 3.86 (2H, q), 7.01 (1H, m), 7.10 (1H, m), 7.17 (1H, m).

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 1588 - 1592
[2]Patent: US2008/306045,2008,A1 .Location in patent: Page/Page column 21

9
[ 2346-26-1 ]
[ 927-74-2 ]
[ 1279882-28-8 ]

Reference： [1]Tetrahedron Letters,2013,vol. 54,p. 925 - 928

10
[ 40000-20-2 ]
[ 927-74-2 ]
[ 1161937-27-4 ]

Reference： [1]Journal of the American Chemical Society,2014,vol. 136,p. 7861 - 7864

11
[ 52414-98-9 ]
[ 927-74-2 ]
C₁₁H₁₁NO₃ [ No CAS ]

Reference： [1]Patent: WO2014/145022,2014,A1 .Location in patent: Page/Page column 54

12
[ 676273-39-5 ]
[ 927-74-2 ]
3-(4-hydroxybut-1-yn-1-yl)-1-tosyl-1H-indole-5-carbonitrile [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With copper(l) iodide; triethylamine; triphenylphosphine; palladium dichloride; In N,N-dimethyl-formamide; at 20 - 30℃;Inert atmosphere;	Example 3 Synthesis of 3-(4-hydroxybut-1-inyl)-1-tosyl-1H-indole-5-carbonitrile (IV) <strong>[676273-39-5]3-iodo-1-tosyl-1H-indole-5-carbonitrile</strong> (V) (12.5 g, 28.3 mmol), PdCl2 (150 mg, 0.85 mmol), PPh3 (668 mg, 2.55 mmol) and CuI (162 mg, 0.85 mmol) are suspended in a mixture of triethylamine (65 mL) and DMF (60 mL) under inert atmosphere. The mixture is heated to the temperature of 30 C., then treated with a solution (10 mL) obtained by dissolving 3-butyn-1-ol (2.7 mL, 30.0 mmol) in DMF added by slow dripping. At the end of the addition the reaction mixture is left to stand at ambient temperature and maintained under stirring overnight. The mixture is then diluted with ethyl acetate (200 mL) and treated with a solution of 1M HCl until markedly acid. The phases are separated and the organic phase is washed sequentially with a saturated solution of NaHCO3 with the addition of a 33% solution of NH4OH, an 0.1M solution of Na2S2O3 and a saturated solution of NaCl. The organic phase is dried on Na2SO4, filtered, and concentrated at low pressure. Crude product (IV) is obtained as a solid (11 g), which is not purified but used "as is" in the subsequent reaction.A portion of the crude product is purified by flash chromatography (petroleum ether/AcOEt 50/50) to obtain chemically pure product ( IV) as a white solid. [0065] 1H-NMR (400 MHz, CDCl3), delta: 7.97 (1H, d, J=8.4 Hz); 7.89 (1H, s); 7.71-7.68 (3H, m); 7.50 (1H, d, J=8.8 Hz); 7.20 (1H, d, J=8.4 Hz); 3.78 (2H, m); 3.65 (1H, bs); 2.67 (2H, t, J=6.4 Hz); 2.29 (3H, s).

Reference： [1]Patent: US2014/275542,2014,A1 .Location in patent: Paragraph 0064; 0065

13
[ 14437-03-7 ]
[ 927-74-2 ]
but-3-yn-1-yl tosylcarbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
88%	at 100℃; for 1h;Sealed tube; Microwave irradiation;	General procedure: The 4-substituted methyl (phenylsulfonyl)carbamate was dissolved in the chosen alcohol (2 mL) in a microwave vial, which was closed using an aluminum open-top seal with PTFE-faced septum. The reaction mixture was heated under microwave irradiation at 100-120 oC for 20-60 min. The crude reaction mixture was concentrated under reduced pressure and the residue was purified using silica gel column chromatography to yield the desired (aryl)carbamate.

Reference： [1]Tetrahedron Letters,2016,vol. 57,p. 1476 - 1478

14
[ 1256945-00-2 ]
[ 927-74-2 ]
C₁₁H₈BrF₃O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
2.5 g	With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; diisopropylamine; In tetrahydrofuran; at -30 - 20℃; for 19h;	Into a glass reaction vessel equipped with a stirrer and a capacity of 200 mL,3.51 g of 4-bromo-2-iodo-1- (trifluoromethyl) benzene(10.0 mmol), 67 mL of dehydrated tetrahydrofuran,8.4 mL (60.0 mmol) of diisopropylamine,701.9 mg (1.0 mmol) of dichlorobis (triphenylphosphine) palladium (II), 190.5 mg (1.0 mmol) of copper (I) iodide) Was added, and while keeping the internal temperature at -30 C., 832 muL of 3-butyn-1-ol(11.0 mmol) were added, followed by reaction at room temperature for 19 hours.The solvent was distilled off under reduced pressure, and a saturated aqueous solution of ammonium chloride was added to the resulting reaction crude productThe mixture was extracted with diethyl ether, dried over magnesium sulfate and the solvent was distilled off under reduced pressure,Silica gel column chromatography (hexane: ethyl acetate = 8: 2)To obtain 2.5 g of compound (C14-e) as a pale yellow solid.

Reference： [1]Patent: JP2018/168138,2018,A .Location in patent: Paragraph 0348; 0350; 0351; 0352

15
[ 927-74-2 ]
[ 22929-52-8 ]

Reference： [1]Organic Letters,2019,vol. 21,p. 369 - 372

16
[ 147751-16-4 ]
[ 927-74-2 ]
[ 1207840-15-0 ]

Reference： [1]Chinese Journal of Chemistry,2020,vol. 38,p. 263 - 268

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Technical Information

? Appel Reaction ? Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions ? Chugaev Reaction ? Corey-Kim Oxidation ? Dess-Martin Oxidation ? Heat of Combustion ? Hydride Reductions ? Jones Oxidation ? Martin's Sulfurane Dehydrating Reagent ? Mitsunobu Reaction ? Moffatt Oxidation ? Oxidation of Alcohols by DMSO ? Preparation of Alcohols ? Preparation of Amines ? Reactions of Alcohols ? Reactions with Organometallic Reagents ? Ritter Reaction ? Sharpless Olefin Synthesis ? Swern Oxidation

Historical Records

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[ 927-74-2 ]

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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

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[ CAS No. 927-74-2 ] {[proInfo.proName]}

Quality Control of [ 927-74-2 ]

Related Doc. of [ 927-74-2 ]

Product Details of [ 927-74-2 ]

Calculated chemistry of [ 927-74-2 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 927-74-2 ]

Application In Synthesis of [ 927-74-2 ]

[ 927-74-2 ] Synthesis Path-Upstream 1~4

[ 927-74-2 ] Synthesis Path-Downstream 1~16

Technical Information

Related Functional Groups of [ 927-74-2 ]

Alkynyls

Aliphatic Chain Hydrocarbons

Alcohols

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 927-74-2 ]