[ CAS No. 1072-85-1 ] {[proInfo.proName]}

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Quality Control of [ 1072-85-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1072-85-1 ]

SDS Specification

Alternatived Products of [ 1072-85-1 ]

Product Details of [ 1072-85-1 ]

CAS No. :	1072-85-1	MDL No. :	MFCD00000282
Formula :	C₆H₄BrF	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	IPWBFGUBXWMIPR-UHFFFAOYSA-N
M.W :	175.00	Pubchem ID :	61259
Synonyms :

Calculated chemistry of [ 1072-85-1 ] Expand+

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	34.1
TPSA :	0.0 ?2

Pharmacokinetics

GI absorption :	Low
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.44 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.04
Log Po/w (XLOGP3) :	2.71
Log Po/w (WLOGP) :	3.01
Log Po/w (MLOGP) :	3.48
Log Po/w (SILICOS-IT) :	3.0
Consensus Log Po/w :	2.85

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.19
Solubility :	0.114 mg/ml ; 0.00065 mol/l
Class :	Soluble
Log S (Ali) :	-2.36
Solubility :	0.758 mg/ml ; 0.00433 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.52
Solubility :	0.0522 mg/ml ; 0.000299 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.33

Safety of [ 1072-85-1 ]

Signal Word:	Danger	Class:	3
Precautionary Statements:	P261-P305+P351+P338	UN#:	1993
Hazard Statements:	H225-H315-H319-H335	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 1072-85-1 ]

* 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 [ 1072-85-1 ]
Downstream synthetic route of [ 1072-85-1 ]

[ 1072-85-1 ] Synthesis Path-Upstream 1~4

1
[ 1072-85-1 ]
[ 78-82-0 ]
[ 57775-06-1 ]

Yield	Reaction Conditions	Operation in experiment
5.2 %Chromat.	Stage #1: With sodium hexamethyldisilazane In tetrahydrofuran at 65℃; for 1 h; Stage #2: With hydrogenchloride; water In tetrahydrofuran	Example 4; Reaction of haloarenes and 2-methylpropionitrile in the presence of various bases in THF. The reaction tubes of Mettler Toledo MiniBlock.(TM). were independently charged with the haloarenes (0.01 mol) identified below and a solution of 2-methylpropionitrile in THF (8.5 mL, 0.01 mol) which was prepared from the nitrile (14 g) and THF (160 mL). An equimolar amount of the base (0.01 mol) was independently added to each tube dropwise at ambient temperature. The reaction mixtures were heated to 65° C. over 1 hour, cooled to ambient temperature and quenched with 5percent HCl (6 mL). The organic phases were separated and the solvents were evaporated. The crude product mixtures were examined using gas chromatography (GC)/mass spectroscopy (MS) and proton nuclear magnetic resonance (¹H-NMR).F. haloarene: 1-bromo-2-fluorobenzene; base: sodium hexamethyldisilazide (1M in THF); product: 2-(2-bromophenyl)-2-methylpropionitrile (5.2percent by GC/MS) and residual haloarene (76.8percent)

Reference： [1] Patent: US2006/247441, 2006, A1, . Location in patent: Page/Page column 17

2
[ 1072-85-1 ]
[ 77123-60-5 ]

Reference： [1] Journal of Organic Chemistry, 1981, vol. 46, # 11, p. 2280 - 2286
[2] Journal of Organic Chemistry, 1981, vol. 46, # 11, p. 2280 - 2286
[3] Patent: US2009/111772, 2009, A1,

3
[ 1072-85-1 ]
[ 161957-61-5 ]

Reference： [1] Bulletin de la Societe Chimique de France, 1996, vol. 133, # 2, p. 133 - 141
[2] Tetrahedron Letters, 1995, vol. 36, # 6, p. 881 - 884

4
[ 1072-85-1 ]
[ 78782-17-9 ]
[ 517920-60-4 ]

Reference： [1] Organic Letters, 2011, vol. 13, # 13, p. 3368 - 3371

[ 1072-85-1 ] Synthesis Path-Downstream 1~11

1
[ 1072-85-1 ]
[ 124-38-9 ]
[ 161957-56-8 ]

Yield	Reaction Conditions	Operation in experiment
64%		INTERMEDIATE PREPARATION 76-bromo-7-fluoro-1 /-/-indole-2,3-dione3-bromo-2-fluorobenzoic acidTo a solution of diisopropylamine (84.3 mL, 600 mmol) in THF (500 mL) at -30C was added n-BuLi (240 mL of a 2.5M solution, 600 mmol) dropwise. The resulting solution was stirred at -30C for 30 min. This mixture was added dropwise to a solution of 1-bromo-2- fluorobenzene (100 g, 571 .43 mmol) in THF (500 mL) at -78C. After the addition was complete, the resulting solution was stirred at -78C for 2 h and poured over crushed solid C02. After removal of the solvent in vacuo, the resulting residue was diluted with water and washed with diethyl ether (2 x 500 mL). The aqueous phase was acidified with 1 N HCI to pH 2. The precipitate was collected by filtration and dried to afford 3-bromo-2-fluorobenzoic acid (90 g, 64% yield) as a white solid. MS (m/z) 221.0 (M+H+).
55%	With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; hexane; at -75 - -10℃; for 3.5h;	Example 16 3-Bromo-2-fluorobenzoic acid To a stirred solution of 2,2,6,6-tetramethylpiperidine (31.1 g, 0.22 mol) in THF (200 mL) was added dropwise a solution of butyl lithium (0.22 mol) in hexane (146.7 mL) at -10 C. The mixture was stirred for 1.5 h at -10 C. and the fluoroarene (1-bromo-2-fluorobenzene) in THF (100 mL) was consecutively added to the solution at -75 C. The mixture was stirred for 2 h at -75 C., before being poured on excess of CO2 gas. Then the reaction mixture was warmed to room temperature and stirred over night. After evaporation of the solvent, the residue was dissolved in water (150 mL), washed with diethyl ether (2*50 mL), acidified (to pH 1) and the solid was filtered off and dried under vacuum to give 24.3 g of the title compound as a white solid (yield: 55%).
55%		Example 16 3-Bromo-2-fluorobenzoic Acid To a stirred solution of 2,2,6,6-tetramethylpiperidine (31.1 g, 0.22 mol) in THF (200 mL) was added dropwise a solution of butyl lithium (0.22 mol) in hexane (146.7 mL) at -10 C. The mixture was stirred for 1.5 h at -10 C. and the fluoroarene (1-bromo-2-fluorobenzene) in THF (100 mL) was consecutively added to the solution at -75 C. The mixture was stirred for 2 h at -75 C., before being poured on excess of CO2 gas. Then the reaction mixture was warmed to room temperature and stirred over night. After evaporation of the solvent, the residue was dissolved in water (150 mL), washed with diethyl ether (2*50 mL), acidified (to pH 1) and the solid was filtered off and dried under vacuum to give 24.3 g of the title compound as a white solid (yield: 55%).

55%		Example 19 3-Bromo-2-fluorobenzoic Acid To a stirred solution of 2,2,6,6-tetramethylpiperidine (31.1 g, 0.22 mol) in THF (200 mL) was added dropwise a solution of butyl lithium (0.22 mol) in hexane (146.7 mL) at -10 C. The mixture was stirred for 1.5 h at -10 C. and the fluoroarene (1-bromo-2-fluorobenzene) in THF (100 mL) was consecutively added to the solution at -75 C. The mixture was stirred for 2 h at -75 C. and an excess of freshly CO2 gas bubbled into the reaction mixture. Then the reaction mixture was warmed to room temperature and stirred over night. After evaporation of the solvent, the residue was dissolved in water (150 mL), washed with diethyl ether (2*50 mL), acidified (to pH 1) and the solid was filtered off, dried under vacuum to give 24.3 g of the title compound as a white solid (yield: 55%).
55%		Example 16 3-Bromo-2-fhiorobenzoic acidTo a stirred solution of 2,2,6,6-tetramethylpiperidine (31.1 g, 0.22 mol) in THF (200 mL) was added dropwise a solution of butyl lithium (0.22 mol) in hexane (146.7 mL) at -10 0C. The mixture was stirred for 1.5 h at -10 0C and the fluoroarene (l-bromo-2-fluorobenzene) in THF (100 mL) was consecutively added to the solution at -75 0C. The mixture was stirred for 2 h at -75 0C, before being poured on excess of CO2 gas. Then the reaction mixture was warmed to room temperature and stirred over night. After evaporation of the solvent, the residue was dissolved in water (150 mL), washed with diethyl ether (2 x 50 mL), acidified (to pH 1) and the solid was filtered off and dried under vacuum to give 24.3 g of the title compound as a white solid (yield: 55%).
20.78%	With lithium diisopropyl amide; In tetrahydrofuran; at -78℃; for 1h;	Carbon dioxide was purged for 15 min through a stirred solution of 1-bromo-2-fluorobenzene (5.0g, 28.57mmol, 1.0eq) in tetrahydrofuran (70mL) followed by addition of lithium diisopropylamide (2M) (42.8mL, 85.71mmol, 3.0eq) at -78C. The reaction mixture was stirred at -78C for 1h. After completion of reaction, reaction mixture was transferred to ice cold water and product was extracted with ethyl acetate. Organic layer was combined, washed with brine solution, dried over sodium sulfate and concentrated under reduced pressure to obtain crude material. This was further purified by column chromatography eluting with 7% ethyl acetate in hexane to obtain 23.1. (1.3g, Yield: 20.78%). MS (ES): m/z 218.94 [M+H]+.

Reference： [1]Bulletin de la Societe Chimique de France,1996,vol. 133,p. 133 - 141
[2]Patent: WO2011/119704,2011,A1 .Location in patent: Page/Page column 39-40
[3]Bioorganic and Medicinal Chemistry,2006,vol. 14,p. 4158 - 4181
[4]Patent: US2009/203657,2009,A1 .Location in patent: Page/Page column 47
[5]Patent: US2009/203677,2009,A1 .Location in patent: Page/Page column 50
[6]Patent: US2009/197871,2009,A1 .Location in patent: Page/Page column 49
[7]Patent: WO2009/100169,2009,A1 .Location in patent: Page/Page column 125
[8]Patent: WO2020/112937,2020,A1 .Location in patent: Paragraph 00474
[9]Tetrahedron Letters,1995,vol. 36,p. 881 - 884
[10]Tetrahedron Letters,1996,vol. 37,p. 6551 - 6554
[11]Bioorganic and Medicinal Chemistry Letters,2000,vol. 10,p. 2115 - 2118
[12]Bioorganic and Medicinal Chemistry,2008,vol. 16,p. 10001 - 10012

2
[ 1072-85-1 ]
[ 29786-93-4 ]
[ 161957-56-8 ]

Yield	Reaction Conditions	Operation in experiment
57%	With lithium; diisopropylamine; In tetrahydrofuran; water;	Intermediate 38: 3-Bromo-2-fluorobenzoic acid Tetrahydrofuran (60 ml) was added to diisopropylamine (9.6 ml, 68 mmol) in an argon atmosphere. n-Butyllithium (hexane solution, 1.5 M, 38 ml, 57 mmol) was added dropwise thereto at -10C, and the mixture was stirred for one hr. Separately, 55 ml of tetrahydrofuran was added to 1-bromo-2-fluorobenzene (10 g, 57 mmol) to prepare a solution which was then added dropwise to the lithium reagent solution at -78C. The mixture was stirred for 2 hr and was then stirred for additional 30 min while blowing carbon dioxide thereinto. The temperature of the reaction mixture was returned to room temperature, and the reaction mixture was concentrated under the reduced pressure. Water (200 ml) was added to the residue to prepare a solution, and the solution was washed twice with 100 ml of diethyl ether.The aqueous layer was adjusted to pH 1 by the addition of 1.0 M hydrochloric acid, was extracted twice with 300 ml of methylene chloride, was dried over anhydrous magnesium sulfate, and was concentrated under the reduced pressure to give the title compound (7.1 g, 57%). Physicochemical properties of intermediate 38

Reference： [1]Patent: EP1229024,2002,A1

3
[ 1455-20-5 ]
[ 1072-85-1 ]
[ 1044231-43-7 ]

Reference： [1]Advanced Synthesis and Catalysis,2007,vol. 349,p. 2507 - 2516

4
[ 1072-85-1 ]
[ 35852-81-4 ]
[ 1252831-16-5 ]

Reference： [1]Organic Letters,2010,vol. 12,p. 4924 - 4927

5
[ 1072-85-1 ]
[ 78782-17-9 ]
[ 517920-60-4 ]

Reference： [1]Organic Letters,2011,vol. 13,p. 3368 - 3371

6
[ 1072-85-1 ]
[ 201230-82-2 ]
[ 38980-96-0 ]
[ 83800-83-3 ]

Reference： [1]Chemistry - A European Journal,2014,vol. 20,p. 16107 - 16110

7
[ 1072-85-1 ]
[ 156353-01-4 ]
(2-fluorophenyl)(tetrahydro-2H-pyran-4-yl)methanone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
75%		Step 1: 4-(2-Fluorobenzoyl)oxaneA solution of 1-bromo-2-fluorobenzene (10.1 g, 57.7 mmol) in tetrahydrofuran (50 mL) in a RB flask was cooled to -78 C in a dry ice and acetone bath and treated slowly via syringe with nBuLi, 2.5 M in hexanes (23.1 mL, 57.7 mmol), and the resulting amber solution stirred for 35 mm in bath. The mixture was treated with a solution <strong>[156353-01-4]N-methoxy-N-methyloxane-4-carboxamide</strong> (5.00 g, 28.9 mmol) in 10 mL of tetrahydrofuran via syringe to give a dark solution. After 2 h, the mixture was quenched with sat. aq. NH4C1 and extracted into ethyl acetate. The organics were washed with water and brine, and the volatiles were concentrated to give a dark-yellow oil. The material purified usingsilica gel column chromatography on an ISCO Companion (120 g silica gel column) and eluted with an EtOAc/hexane hexane gradient (10-40%). The fractions containing product were collected, and the volatiles were removed were collected, and the volatiles were removed to give 4-(2-fluorobenzoyl)oxane (4.50 g, 21.6 mmol, 75 %) as a light- amber oil. LCMS: Waters Acquity SDS. Column: BEH C18 2.1x50 mm 1.7u (1.6 mmgrad) 2-98 % B. Flow Rate = 0.8 mL/min. Solvent A: H20 -0.1 % TFA. Solvent B:Acetonitrile - 0.1 % TFA. LCMS: RT = 0.81 mm; (ES): mlz (M+H) = 209.1. HPLC:Chromolith ODS S5 4.6 x 50 mm (4 mm grad) 0-100% B. Flow Rate = 4 mL/min. Inj.Vol. = 10 uL. Wavelength = 220. Oven Temp. = 40 C. Solvent A: 10% MeOH - 90%H20 -0.1 % TFA. Solvent B: 90% MeOH - 10 % H20 - 0.1 % TFA. HPLC: RT = 1.797mm.
75%	With n-butyllithium; In tetrahydrofuran; hexane; for 0.583333h;Cooling with acetone-dry ice;	A solution of 1-bromo-2-fluorobenzene (10.1 g, 57.7 mmol) in tetrahydrofuran (50 mL) in a RB flask was cooled to -78 C. in a dry ice and acetone bath and treated slowly via syringe with nBuLi, 2.5 M in hexanes (23.1 mL, 57.7 mmol), and the resulting amber solution stirred for 35 min in bath. The mixture was treated with a solution <strong>[156353-01-4]N-methoxy-N-methyloxane-4-carboxamide</strong> (5.00 g, 28.9 mmol) in 10 mL of tetrahydrofuran via syringe to give a dark solution. After 2 h, the mixture was quenched with sat. aq. NH4Cl and extracted into ethyl acetate. The organics were washed with water and brine, and the volatiles were concentrated to give a dark-yellow oil. The material purified using silica gel column chromatography on an ISCO Companion (120 g silica gel column) and eluted with an EtOAc/hexane hexane gradient (10-40%). The fractions containing product were collected, and the volatiles were removed were collected, and the volatiles were removed to give 4-(2-fluorobenzoyl)oxane (4.50 g, 21.6 mmol, 75%) as a light-amber oil. LCMS: Waters Acquity SDS. Column: BEH C18 2.1×50 mm 1.7 u (1.6 min grad) 2-98% B. Flow Rate=0.8 mL/min. Solvent A: H2O-0.1% TFA. Solvent B: Acetonitrile-0.1% TFA. LCMS: RT=0.81 min; (ES): m/z (M+H)+=209.1. HPLC: Chromolith ODS S5 4.6×50 mm (4 min grad) 0-100% B. Flow Rate=4 mL/min. Inj. Vol.=10 uL. Wavelength=220. Oven Temp.=40 C. Solvent A: 10% MeOH -90% H2O-0.1% TFA. Solvent B: 90% MeOH -10% H2O-0.1% TFA. HPLC: RT=1.797 min.
48%		1-Bromo-2-fluorobenzene (3.5 g, 20 mmol) was dissolved in dry tetrahydrofuran (40 mL), and cooled to -78C under the protection of nitrogen. A 2.4 mol/L n-hexane solution of n-BuLi (10 mL, 24 mmol) was added dropwise slowly. The reaction mixture was stirred at - 78C for additional 30 min, and then a tetrahydrofuran (10 mL) solution of <strong>[156353-01-4]N-methoxy-N-methyltetrahydro-2H-pyran-4-carboxamide</strong> (4.16 g, 24 mmol) was added dropwise. The reaction mixture was slowly warmed to room temperature, and stirred overnight. An ammonium chloride aqueous solution was added to quench the reaction. The reaction mixture was poured into water, and extracted with ethyl acetate. The organic phase was separated, washed with a saturated saline solution, and dried. The solvent was removed under vacuum to obtain a crude product. The crude product was purified by column chromatography to obtain the product (2 g, 48%). 1H NMR (400 MHz, CDCl3): delta 7.76-7.80 (m, 1H), 7.49-7.54 (m, 1H), 7.22-7.27 (m, 1H), 7.10-7.15 (m, 1H), 4.00-4.05 (m, 2H), 3.49-3.55 (m, 2H), 3.32-3.40 (m, 1H), 1.73-1.86 (m, 4H).

Reference： [1]Patent: WO2015/100282,2015,A1 .Location in patent: Page/Page column 127; 128
[2]Patent: US2016/176864,2016,A1 .Location in patent: Paragraph 0497; 0498
[3]Patent: EP3412669,2018,A1 .Location in patent: Paragraph 0374; 0375

8
[ 1072-85-1 ]
[ 156353-01-4 ]
2-fluorophenyl(oxan-4-yl)(<SUP>2</SUP>H)methanol [ No CAS ]

Reference： [1]Patent: WO2015/100282,2015,A1
[2]Patent: US2016/176864,2016,A1

9
[ 1072-85-1 ]
[ 86-74-8 ]
[ 902518-11-0 ]

Yield	Reaction Conditions	Operation in experiment
92%	With caesium carbonate; In N,N-dimethyl-formamide; at 150℃; for 2h;	The preparation method of the compound of formula M1 is as follows:2.5 g (15.0 mmol) of carbazole, 10.7 g (60.0 mmol) of 1-bromo-2-fluorobenzene, and 8.5 g (20.0 mmol) of cesium carbonate were sequentially added to a 250 mL two-necked flask.And 130 mL of N,N-dimethylformamide,The mixture was heated to 150 C with stirring for 24 hours.After the reaction is complete, the system is cooled to room temperature.Pour into water and filter by vacuum.And wash the filter residue with a large amount of water, and filter the residue with dichloromethane:The petroleum ether = 1:4 (volume ratio) eluent was separated and purified on a silica gel column to obtain 4.4 g of M1.The yield was 92.0%.
87%	With caesium carbonate; In N,N-dimethyl-formamide; at 150℃; for 24h;	General procedure: A mixture of a fluorinated aryl halide (2.0 mmol), a carbazole (0.5 mmol), and a base (2.0 mmol) in solvent (2 mL) was allowed to react under air atmosphere. The reaction mixture was heated to the specified temperature for 24 h. After reaction completion, the mixture was added to brine (15 mL) and extracted with CH2Cl2 (3 × 15 mL). The combined extract was concentrated under reduced pressure and the product was isolated by short chromatography on a silica gel (200-300 mesh) column.

Reference： [1]Patent: CN110256447,2019,A .Location in patent: Paragraph 0063; 0064
[2]Synthesis,2016,vol. 48,p. 737 - 750
[3]Organic Process Research and Development,2019,vol. 23,p. 1602 - 1609
[4]Journal of Materials Chemistry C,2018,vol. 6,p. 4300 - 4307

10
[ 1072-85-1 ]
[ 18628-07-4 ]
C₃₀H₁₉BrN₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
85%	With caesium carbonate; In 1-methyl-pyrrolidin-2-one; at 170℃; for 15h;Inert atmosphere;	To a three-necked flask, 3.00 g (9.03 mmol) of 9H-3,9?-bicarbazole, 1.90 g (10.8 mmol) of 1-bromo-2-fluorobenzene, 5.88 g (18.1 mmol) of cesium carbonate, And 18 mL of NMP were added, and the mixture was heated and stirred at 170 C. for 15 hours under an argon atmosphere. After cooling to room temperature (25 C.), water was added to the reaction mixture, and the solid was collected by filtration. The obtained solid was purified by silica gel column chromatography, and the obtained solid was suspended and washed with methanol to obtain an intermediate (2-A). The yield was 3.80 g, and the yield was 85%.

Reference： [1]Patent: JP2019/137617,2019,A .Location in patent: Paragraph 0472; 0473; 0474

11
[ 1072-85-1 ]
[ 335344-28-0 ]
[ 52833-63-3 ]

Reference： [1]Applied Organometallic Chemistry,2019

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Technical Information

? Alkyl Halide Occurrence ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Friedel-Crafts Reaction ? General Reactivity ? Grignard Reaction ? Hiyama Cross-Coupling Reaction ? Hydrogenolysis of Benzyl Ether ? Kinetics of Alkyl Halides ? Kumada Cross-Coupling Reaction ? Preparation of Alkylbenzene ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reactions of Dihalides ? Stille Coupling ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling ? Vilsmeier-Haack Reaction

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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. 1072-85-1 ] {[proInfo.proName]}

Quality Control of [ 1072-85-1 ]

Related Doc. of [ 1072-85-1 ]

Product Details of [ 1072-85-1 ]

Calculated chemistry of [ 1072-85-1 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1072-85-1 ]

Application In Synthesis of [ 1072-85-1 ]

[ 1072-85-1 ] Synthesis Path-Upstream 1~4

[ 1072-85-1 ] Synthesis Path-Downstream 1~11

Technical Information

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

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