164071-58-3

Basic information

• Product Name: 3-IODO-1-THIOPHEN-2-YL-PROPAN-1-OL
• Synonyms: 3-IODO-1-THIOPHEN-2-YL-PROPAN-1-OL
• CAS NO: 164071-58-3
• Molecular Formula: C₇H₉IOS
• Molecular Weight: 268.11523
• Mol File: 164071-58-3.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 310.1°C at 760 mmHg
• Flash Point: 141.3°C
• Appearance: /
• Density: 1.845g/cm³
• Vapor Pressure: 0.000264mmHg at 25°C
• Refractive Index: 1.655
• PKA: 13.45±0.20(Predicted)
• CAS DataBase Reference: 3-IODO-1-THIOPHEN-2-YL-PROPAN-1-OL(CAS DataBase Reference)
• NIST Chemistry Reference: 3-IODO-1-THIOPHEN-2-YL-PROPAN-1-OL(164071-58-3)
• EPA Substance Registry System: 3-IODO-1-THIOPHEN-2-YL-PROPAN-1-OL(164071-58-3)

Safety Data

• Hazardous Substances Data: 164071-58-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H9IOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,9H,3-4H2

Upstream product

• 40570-64-7 3-chloro-1-(2-thienyl)propan-1-one 
• 164071-56-1 (S)-3-chloro-1-(thiophen-2-yl)propan-1-ol 

Downstream Products

• 116539-55-0 (S)-3-methylamino-1-(2-thienyl)-1-propanol 
• 116539-58-3 Duloxetine 

Relevant articles and documents

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

Copper(ii)-catalyzed enantioselective hydrosilylation of halo-substituted alkyl aryl and heteroaryl ketones: Asymmetric synthesis of (R)-fluoxetine and (S)-duloxetine

A set of reaction conditions has been established to facilitate the non-precious copper-catalyzed enantioselective hydrosilylation of a number of structurally diverse β-, γ- or ε-halo-substituted alkyl aryl ketones and α-, β- or γ-halo-substituted alkyl heteroaryl ketones under air to afford a broad spectrum of halo alcohols in high yields and good to excellent enantioselectivities (up to 99% ee). The developed procedure has been successfully applied to the asymmetric synthesis of antidepressant drugs (R)-fluoxetine and (S)-duloxetine, which highlighted its synthetic utility.

Duloxetine (Cymbalta), a dual inhibitor of serotonin and norepinephrine reuptake.

A series of naphthalenyloxy-arylpropylamines have been prepared and are demonstrated to be inhibitors of both serotonin and norepinephrine reuptake. One member of this series, duloxetine (Cymbalta) has proven to be effective in clinical trials for the treatment of depression.