287737-72-8

Basic information

• Product Name: (2S)-HYDROXY(PHENYL)ACETIC ACID (1S)-3-(DIMETHYLAMINO)-1-(2-THIENYL)PROPAN-1-OL (1:1) (SALT)
• Synonyms: (2S)-HYDROXY(PHENYL)ACETIC ACID (1S)-3-(DIMETHYLAMINO)-1-(2-THIENYL)PROPAN-1-OL (1:1) (SALT)
• CAS NO: 287737-72-8
• Molecular Formula: C₈H₈O₃*C₉H₁₅NOS
• Molecular Weight: 337.43382
• Mol File: 287737-72-8.mol
• Article Data: 13

Chemical Properties

• Appearance: /
• CAS DataBase Reference: (2S)-HYDROXY(PHENYL)ACETIC ACID (1S)-3-(DIMETHYLAMINO)-1-(2-THIENYL)PROPAN-1-OL (1:1) (SALT)(CAS DataBase Reference)
• NIST Chemistry Reference: (2S)-HYDROXY(PHENYL)ACETIC ACID (1S)-3-(DIMETHYLAMINO)-1-(2-THIENYL)PROPAN-1-OL (1:1) (SALT)(287737-72-8)
• EPA Substance Registry System: (2S)-HYDROXY(PHENYL)ACETIC ACID (1S)-3-(DIMETHYLAMINO)-1-(2-THIENYL)PROPAN-1-OL (1:1) (SALT)(287737-72-8)

Safety Data

• Hazardous Substances Data: 287737-72-8(Hazardous Substances Data)

Usage

General Description

The chemical (2S)-HYDROXY(PHENYL)ACETIC ACID and (1S)-3-(DIMETHYLAMINO)-1-(2-THIENYL)PROPAN-1-OL (1:1) (SALT) is a combination of two compounds in a 1:1 ratio. The first compound is an amino acid derivative with a hydroxyl group attached to a phenyl ring, while the second compound is an alcohol derivative containing a dimethylamino group and a thienyl group. When combined in a salt form, these compounds may have potential applications in pharmaceutical or chemical synthesis, or may be used as reagents in specific chemical reactions. Further research and experimentation may be necessary to fully understand the properties and potential uses of this combination.

Upstream product

• 5424-47-5 3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride 
• 88-15-3 2-Acetylthiophene 
• 13636-01-6 3-(dimethylamino)-1-(2-thienyl)-1-propanol hydrochloride 
• 17199-29-0 (S)-Mandelic acid 
• 13636-02-7 3-(N,N-dimethylamino)-1-(thien-2-yl)propan-1-ol 
• 132335-49-0 α-[2-(dimethylamino)ethyl](thiophene-2-yl)methanol 

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 

Relevant articles and documents

A west Luo river sandbank chiral intermediate mandelic acid salt preparation method

A purpose of the present invention is to provide a method for simultaneously recycling (R)-(-)-N,N-dimethyl-3-(2-thienyl)-3-hydroxypropylamine (II) and S-mandelic acid to prepare a duloxetine chiral intermediate (S)-(-)-N,N-dimethyl-3-(2-thienyl)-3-hydroxypropylamine S-mandelate (I). The formulas (I) and (II) are defined in the instruction.

Chemoenzymatic synthesis of (S)-duloxetine using carbonyl reductase from Rhodosporidium toruloides

A chemoenzymatic strategy was developed for (S)-duloxetine production employing carbonyl reductases from newly isolated Rhodosporidium toruloides into the enantiodetermining step. Amongst the ten most permissive enzymes identified, cloned, and overexpressed in Escherichia coli, RtSCR9 exhibited excellent activity and enantioselectivity. Using co-expressed E. coli harboring both RtSCR9 and glucose dehydrogenase, (S)-3-(dimethylamino)-1-(2-thienyl)-1-propanol 3a was fabricated with so far the highest substrate loading (1000 mM) in a space-time yield per gram of biomass (DCW) of 22.9 mmol L-1 h-1 g DCW-1 at a 200-g scale. The subsequent synthetic steps from RtSCR9-catalyzed (S)-3a were further performed, affording (S)-duloxetine with 60.2% overall yield from 2-acethylthiophene in >98.5% ee.

AN IMPROVED PROCESS FOR THE PREPARATION OF DULOXETINE AND SALTS THEREOF

The present invention relates to improved process for the preparation of Duloxetine of formula (I) and salts thereof wherein said improvement takes place in step of condensation.