917483-01-3

Basic information

• Product Name: Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2S,3S)-, compd. with 4-[(1R)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxy methyl)benzonitrile (1:1)
• CAS NO: 917483-01-3
• Molecular Formula: C20H23FN2O2.C20H18O8
• Molecular Weight: 728.771
• Mol File: 917483-01-3.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2S,3S)-, compd. with 4-[(1R)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxy methyl)benzonitrile (1:1)(CAS DataBase Reference)
• NIST Chemistry Reference: Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2S,3S)-, compd. with 4-[(1R)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxy methyl)benzonitrile (1:1)(917483-01-3)
• EPA Substance Registry System: Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2S,3S)-, compd. with 4-[(1R)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxy methyl)benzonitrile (1:1)(917483-01-3)

Safety Data

• Hazardous Substances Data: 917483-01-3(Hazardous Substances Data)

Upstream product

• 32634-68-7 (2S,3S)-di-4-toluoyltartaric acid 
• 103146-25-4 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile 
• 19070-16-7 3-(N,N-dimethylamino)propylmagnesium chloride 
• 5407-04-5 3-(dimethylamino)propyl chloride hydrochloride 
• 352-13-6 4-flourophenylmagnesium bromide 
• 460-00-4 1-Bromo-4-fluorobenzene 

Downstream Products

• 219861-18-4 (R)-(+)-4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile 
• 128196-01-0 escitalopram 
• 219861-08-2 escitalopram oxalate 

Relevant articles and documents

Preparation of Escitalopram, Its Salts and Intermediates

The present patent application relates to an improved process for the preparation of escitalopram, its salts and intermediates. It also relates to a novel crystalline form S of citalopram diol intermediate, process for preparation and its use in the preparation of citalopram, escitalopram and their salts.

METHOD FOR MANUFACTURE OF ESCITALOPRAM

This patent discloses a method for resolution of 4-[4-(dimethylamino)-1-(4′-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile as a racemic or non-racemic enantiomer mixture into its isolated enantiomers, said method comprising the step of fractionally crystallising 4-[4-(dimethylamino)-1-(4′-fluoro-phenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile as a salt with the (+)-(S,S)- or (-)-(R,R)-enantiomer of O,O'-di-p-toluoyl-tartaric acid in a solvent system comprising 1-propanol, ethanol or acetonitrile.