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41965-95-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 41965-95-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,1,9,6 and 5 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 41965-95:
(7*4)+(6*1)+(5*9)+(4*6)+(3*5)+(2*9)+(1*5)=141
141 % 10 = 1
So 41965-95-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H10ClNO.ClH/c1-11-8-3-2-6(5-10)4-7(8)9;/h2-4H,5,10H2,1H3;1H

41965-95-1 Well-known Company Product Price

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  • (Code)Product description
  • CAS number
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  • Alfa Aesar

  • (H63806)  3-Chloro-4-methoxybenzylamine hydrochloride, 97%   

  • 41965-95-1

  • 1g

  • 260.0CNY

  • Detail
  • Alfa Aesar

  • (H63806)  3-Chloro-4-methoxybenzylamine hydrochloride, 97%   

  • 41965-95-1

  • 5g

  • 973.0CNY

  • Detail
  • Alfa Aesar

  • (H63806)  3-Chloro-4-methoxybenzylamine hydrochloride, 97%   

  • 41965-95-1

  • 25g

  • 3891.0CNY

  • Detail
  • Aldrich

  • (657441)  3-Chloro-4-methoxybenzylaminehydrochloride  97%

  • 41965-95-1

  • 657441-5G

  • 1,267.11CNY

  • Detail

41965-95-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Chloro-4-Methoxybenzylamine Hydrochloride

1.2 Other means of identification

Product number -
Other names 3-Chloro-4-methoxybenzylamine Hydrochloride

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:41965-95-1 SDS

41965-95-1Synthetic route

N-(3-chloro-4-methoxybenzyl)formamide
212576-67-5

N-(3-chloro-4-methoxybenzyl)formamide

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride
41965-95-1

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

Conditions
ConditionsYield
With hydrogenchloride for 3h; Heating;95%
3-Chloro-4-methoxybenzonitrile
102151-33-7

3-Chloro-4-methoxybenzonitrile

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride
41965-95-1

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

Conditions
ConditionsYield
Stage #1: 3-Chloro-4-methoxybenzonitrile With potassium tert-butylate In tetrahydrofuran at 70℃; for 12h; Glovebox; Inert atmosphere; Sealed tube;
Stage #2: With sodium hydroxide In tetrahydrofuran; water at 20℃; Glovebox; Inert atmosphere; Sealed tube;
Stage #3: With hydrogenchloride In methanol; diethyl ether at 20℃; for 0.333333h; Inert atmosphere;
90%
4-methoxy-benzylamine
2393-23-9

4-methoxy-benzylamine

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride
41965-95-1

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

Conditions
ConditionsYield
With sulfuryl dichloride; acetic acid In diethyl ether at 20℃;80%
With sulfuryl dichloride In acetic acid at 20℃; for 5h; Chlorination;78.7%
Stage #1: 4-methoxy-benzylamine With hydrogenchloride In tetrahydrofuran; diethyl ether at 0℃; for 0.333333h;
Stage #2: With sulfuryl dichloride; acetic acid at 20 - 70℃;
44%
4-methoxybenzylamine hydrochloride
17061-61-9

4-methoxybenzylamine hydrochloride

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride
41965-95-1

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

Conditions
ConditionsYield
With chlorine In acetic acid at 20℃; for 0.333333h;71%
With hydrogenchloride; dihydrogen peroxide In water at 63℃; for 11h;26.5 g
3-chloro-4-methoxy-benzaldehyde
4903-09-7

3-chloro-4-methoxy-benzaldehyde

aqueous sodium cyanacetate

aqueous sodium cyanacetate

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride
41965-95-1

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 64 percent / HCOOH / 6 h / 130 °C
2: 95 percent / conc. HCl / 3 h / Heating
View Scheme
4-methoxy-benzaldehyde
123-11-5

4-methoxy-benzaldehyde

(+-)-2-cyano-3-m-tolyl-propionic acid hydrazide

(+-)-2-cyano-3-m-tolyl-propionic acid hydrazide

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride
41965-95-1

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 72 percent / SO2Cl2, pyridine / 1.) RT, 0.5 h, 2.) 70 deg C, 4 h
2: 64 percent / HCOOH / 6 h / 130 °C
3: 95 percent / conc. HCl / 3 h / Heating
View Scheme
9-chloro-2-ethyl-7-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one

9-chloro-2-ethyl-7-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride
41965-95-1

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

9-((3-chloro-4-methoxybenzyl)amino)-2-ethyl-7-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one

9-((3-chloro-4-methoxybenzyl)amino)-2-ethyl-7-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In propan-1-ol at 90℃; for 2h; Inert atmosphere;99%
With N-ethyl-N,N-diisopropylamine In propan-1-ol at 90℃; for 1h;
(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride
41965-95-1

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

4-chloro-6-cyanoquinoline-3-carboxylic acid ethyl ester
403841-76-9

4-chloro-6-cyanoquinoline-3-carboxylic acid ethyl ester

ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-6-cyanoquinoline-3-carboxylate
403838-46-0

ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-6-cyanoquinoline-3-carboxylate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In propan-1-ol97%
With N-ethyl-N,N-diisopropylamine In propan-1-ol for 2h; Heating;
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride
41965-95-1

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate
330785-81-4

ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate

Conditions
ConditionsYield
Stage #1: (3-chloro-4-methoxyphenyl)methylamine hydrogen chloride With triethylamine In tetrahydrofuran at 20℃; for 0.5h;
Stage #2: 4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester In tetrahydrofuran at 20℃; Cooling with ice;
88.3%
With triethylamine In N,N-dimethyl-formamide at 20℃; for 4h; Temperature; Cooling with ice;78%
Stage #1: (3-chloro-4-methoxyphenyl)methylamine hydrogen chloride With triethylamine In tetrahydrofuran at 20℃; for 0.25h; Cooling with ice;
Stage #2: 4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester In tetrahydrofuran at 20℃;
74.2%
With sodium carbonate In water at 25 - 30℃; for 4h;90 g
4-chloro-2-(methylsulfanyl)pyrimidine-5-carboxamide

4-chloro-2-(methylsulfanyl)pyrimidine-5-carboxamide

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride
41965-95-1

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

C14H15ClN4O2S

C14H15ClN4O2S

Conditions
ConditionsYield
With sodium hydrogencarbonate In acetonitrile at 40℃; for 2.5h; Reagent/catalyst; Temperature; Solvent;87.37%
(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride
41965-95-1

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

1-(9-chloro-3-ethyl-3H-pyrazolo[4',3':5,6]pyrido-[3,4-d]pyridazin-6-yl)-4-methylimidazolecarboxamide
296250-65-2

1-(9-chloro-3-ethyl-3H-pyrazolo[4',3':5,6]pyrido-[3,4-d]pyridazin-6-yl)-4-methylimidazolecarboxamide

1-[9-[[(3-chloro-4-methoxyphenyl)methyl]amino]-3-ethyl-3H-pyrazolo[4',3':5,6]pyrido[3,4-d]pyridazin-6-yl]-N-methyl-1H-imidazole-4-carboxamide
296250-53-8

1-[9-[[(3-chloro-4-methoxyphenyl)methyl]amino]-3-ethyl-3H-pyrazolo[4',3':5,6]pyrido[3,4-d]pyridazin-6-yl]-N-methyl-1H-imidazole-4-carboxamide

Conditions
ConditionsYield
With N-isopropylethylamine In 1-methyl-pyrrolidin-2-one at 110℃; for 3h;85%
7,9-dichloro-2-ethyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one

7,9-dichloro-2-ethyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride
41965-95-1

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

7-chloro-9-((3-chloro-4-methoxybenzyl)amino)-2-ethyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one

7-chloro-9-((3-chloro-4-methoxybenzyl)amino)-2-ethyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In propan-1-ol at 90℃; for 2h; Inert atmosphere;85%
With N-ethyl-N,N-diisopropylamine In propan-1-ol at 90℃; for 2h;
ethyl 8-bromo-4-chloro-6-(trifluoromethyl)quinoline-3-carboxylate

ethyl 8-bromo-4-chloro-6-(trifluoromethyl)quinoline-3-carboxylate

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride
41965-95-1

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

ethyl 8-bromo-4-[(3-chloro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoline-3-carboxylate

ethyl 8-bromo-4-[(3-chloro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoline-3-carboxylate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In propan-1-ol for 16h; Reflux;85%
methyl 2,4-dichloro-6-cyanoquinoline-3-carboxylate
1448419-17-7

methyl 2,4-dichloro-6-cyanoquinoline-3-carboxylate

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride
41965-95-1

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

methyl 2-chloro-4-[(3-chloro-4-methoxybenzyl)amino]-6-cyanoquinoline-3-carboxylate
1448419-18-8

methyl 2-chloro-4-[(3-chloro-4-methoxybenzyl)amino]-6-cyanoquinoline-3-carboxylate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In 1-methyl-pyrrolidin-2-one at 80℃; for 3h;80%
With N-ethyl-N,N-diisopropylamine In 1-methyl-pyrrolidin-2-one at 80℃; for 3h;80%
With N-ethyl-N,N-diisopropylamine In 1-methyl-pyrrolidin-2-one at 80℃; for 3h;80%
9-chloro-2-ethyl-1-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]-quinoline-7-carbonitrile

9-chloro-2-ethyl-1-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]-quinoline-7-carbonitrile

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride
41965-95-1

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

9-((3-chloro-4-methoxybenzyl)amino)-2-ethyl-1-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-7-carbonitrile

9-((3-chloro-4-methoxybenzyl)amino)-2-ethyl-1-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-7-carbonitrile

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In propan-1-ol at 90℃; for 2h; Inert atmosphere;79%
With N-ethyl-N,N-diisopropylamine In propan-1-ol at 90℃; for 1h;
tert-butyl 2,4-dichloro-5-pyrimidinecarboxylic acid

tert-butyl 2,4-dichloro-5-pyrimidinecarboxylic acid

(S)-1-Pyrrolidin-2-yl-methanol
23356-96-9

(S)-1-Pyrrolidin-2-yl-methanol

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride
41965-95-1

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

ethyl (S)-4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)tetrahydropyrrole-1-yl)-5-pyrimidinecarboxylate

ethyl (S)-4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)tetrahydropyrrole-1-yl)-5-pyrimidinecarboxylate

Conditions
ConditionsYield
Stage #1: tert-butyl 2,4-dichloro-5-pyrimidinecarboxylic acid; (3-chloro-4-methoxyphenyl)methylamine hydrogen chloride With triethylamine In dichloromethane at 0℃; for 2h;
Stage #2: (S)-1-Pyrrolidin-2-yl-methanol In dichloromethane for 2h;
75%
ethyl 2,4-dichloropyrimidine-5-carboxylate
51940-64-8

ethyl 2,4-dichloropyrimidine-5-carboxylate

(S)-1-Pyrrolidin-2-yl-methanol
23356-96-9

(S)-1-Pyrrolidin-2-yl-methanol

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride
41965-95-1

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

ethyl (S)-4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)tetrahydropyrrole-1-yl)-5-pyrimidinecarboxylate

ethyl (S)-4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)tetrahydropyrrole-1-yl)-5-pyrimidinecarboxylate

Conditions
ConditionsYield
Stage #1: ethyl 2,4-dichloropyrimidine-5-carboxylate; (3-chloro-4-methoxyphenyl)methylamine hydrogen chloride With triethylamine In dichloromethane at 0℃; for 2h;
Stage #2: (S)-1-Pyrrolidin-2-yl-methanol In dichloromethane for 2h;
70%

41965-95-1Relevant articles and documents

Practical preparation of 3-chloro-4-methoxybenzylamine hydrochloride

Endo, Masaki,Douglas, Jim

, p. 2609 - 2612 (2000)

The title compound was prepared in a practical manner by chlorinating 4- methoxybenzylamine with sulfuryl chloride in acetic acid in 79-82% yields with little side reaction.

COMPOSITION CONTAINING 3-CHLORO-4-METHOXYBENZYLAMINE HYDROCHLORIDE, AND METHOD FOR PRODUCING SAME

-

Paragraph 0054, (2017/04/11)

There is provided a method for producing, at a high yield, a composition containing 3-chloro-4-methoxybenzylamine hydrochloride (CMBA-HCl) in which the purity of CMBA-HCl is high. This method comprises a chlorination step involving a chlorination reaction that generates CMBA-HCl from 4-methoxybenzylamine hydrochloride using hydrogen peroxide and hydrochloric acid. There is also provided a CMBA-HCl-containing composition which is produced by the aforementioned production method and in which the purity of CMBA-HCl is high.

Mono-chlorination of electron-rich arylalkyl- and heteroarylalkyl-amines and amino acids using sulfuryl chloride

Yu, Guixue,Mason, Helen J.,Galdi, Kim,Wu, Ximao,Cornelius, Lyndon,Zhao, Ning,Witkus, Michael,Ewing, William R.,Macor, John E.

, p. 403 - 407 (2007/10/03)

Sulfuryl chloride has been used to mono-chlorinate electron-rich arylalkyl- and heteroarylalkyl-amines and amino acids in a mild and efficient one-pot transformation with straightforward purification. Protection of the amines was not needed, and racemization of the chiral amino acids was minimal.

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