164071-56-1

Basic information

• Product Name: 3-CHLORO-1-(2-THIENYL)-1-PROPANOL
• Synonyms: 3-CHLORO-1-(2-THIENYL)-1-PROPANOL;S-(-)-3-chloro-1-(2-thienyl)-1-propanol;(S)-3-Chloro-1-(thiophen-2-yl)propan-1-ol
• CAS NO: 164071-56-1
• Molecular Formula: C₇H₉ClOS
• Molecular Weight: 176.66
• Mol File: 164071-56-1.mol
• Article Data: 11

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-CHLORO-1-(2-THIENYL)-1-PROPANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLORO-1-(2-THIENYL)-1-PROPANOL(164071-56-1)
• EPA Substance Registry System: 3-CHLORO-1-(2-THIENYL)-1-PROPANOL(164071-56-1)

Safety Data

• Hazardous Substances Data: 164071-56-1(Hazardous Substances Data)

Usage

General Description

3-Chloro-1-(2-thienyl)-1-propanol is a chemical compound with the molecular formula C7H9ClOS. It is an organochlorine compound with a thiol group, and it is commonly used in pharmaceutical and chemical research. 3-CHLORO-1-(2-THIENYL)-1-PROPANOL is a colorless liquid with a slightly sweet odor, and it is soluble in water and ethanol. It is primarily used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. The presence of the thiol group in its structure gives it reactive properties and makes it useful in a variety of chemical reactions. Additionally, it has been studied for its potential pharmacological applications and biological activity.

Upstream product

• 40570-64-7 3-chloro-1-(2-thienyl)propan-1-one 

Downstream Products

• 132335-44-5 (S)-3-dimethylamino-1-(2-thienyl)propan-1-ol 
• 116539-55-0 (S)-3-methylamino-1-(2-thienyl)-1-propanol 
• 357405-45-9 4-Chloro-2-[[(1R)-3-chloro-1-(2-thienyl)propyl]oxy]benzonitrile 
• 116539-58-3 Duloxetine 
• 164071-58-3 S-(-)-3-iodo-1-(2-thienyl)-1-propanol 
• 357404-46-7 2-[(1R)-3-Chloro-1-(2,5-dichlorophenoxy)propyl]thiophene 

Relevant articles and documents

Bioreductive production of enantiopure (S)-duloxetine intermediates catalyzed with ketoreductase ChKRED15

The blockbuster antidepressant drug duloxetine contains one stereo-center derived from chiral alcohol intermediates. The stereoselective bioreductive production of five of such intermediates could be achieved using the recombinant ketoreductase ChKRED15, yielding the enantiopure (S)-alcohols with >99% ee. Sequence alignment indicated that ChKRED15 lacks the conserved G-rich motif, which was then amended by a single mutation of S12G. The resulting S12G mutant displayed significantly improved catalytic activity and protein stability. When coupled with a cofactor recycling system, the S12G mutant was able to catalyze the complete conversion of ethyl 3-oxo-3-(thiophen-2-yl)propanoate within 6 h and N-methyl-3-oxo-3-(thiophen-2-yl)propanamide within 24 h at substrate concentrations of 10 and 50 g/l, respectively, without the compromise of enantioselectivity.

Method for preparation of optically active 3-amino-arylpropan-1-ol derivatives from 3-chloro-1-arylpropan-1-ol derivatives

The present invention relates to a method for preparing an optically active 3-amino-1-arylpropan-1-ol derivative, including the step of making an optically active 3-chloro-1-arylpropan-1-ol compound react with an amine derivative. The method according to the present invention allows direct amination of an optically active 3-chloro-1-arylpropan-1-ol derivative through a single-step reaction. Thus, it is possible to provide a compound functioning as a key intermediate of various optically active molecules through a simple process with high yield, while maintaining the optical purity of the reactant. Therefore, the method may be used for preparing medicines, such as (S)-Duloxetin, (R)-Fluoxetine, (R)- Tomoxetine or (R)- Nisoxetine, with high optical purity by combining the method for preparing an optically active 3-chloro-1-arylpropan-1-ol derivative as a reactant of the method with an additional substitution reaction.(AA) Tomoxetine(BB) Fluoxetine(CC) 3-amino-1-propanol(DD) Nisoxetine(EE) DuloxetineCOPYRIGHT KIPO 2016

A practical synthesis of the antidepressant (S)-duloxetine

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