137428-31-0

Basic information

• Product Name: (S)-N,N-dibenzylaspartic acid β-methyl ester
• Synonyms: (S)-N,N-dibenzylaspartic acid β-methyl ester
• CAS NO: 137428-31-0
• Molecular Weight: 327.38
• Mol File: 137428-31-0.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: (S)-N,N-dibenzylaspartic acid β-methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-N,N-dibenzylaspartic acid β-methyl ester(137428-31-0)
• EPA Substance Registry System: (S)-N,N-dibenzylaspartic acid β-methyl ester(137428-31-0)

Safety Data

• Hazardous Substances Data: 137428-31-0(Hazardous Substances Data)

Upstream product

• 16856-13-6 (+)-β-methyl-L-aspartate hydrochloride 
• 100-44-7 benzyl chloride 
• 2177-62-0 β-methyl L-aspartate 
• 100-52-7 benzaldehyde 

Downstream Products

• 132540-68-2 (S)-3-N,N-dibenzylamino-4-hydroxybutanoic acid methyl ester 
• 137428-32-1 (2S)-2-[bis(phenylmethyl)amino]-1,4-butanediol 
• 1334630-43-1 (S)-2-(dibenzylamino)-4-methoxy-4-oxobutanoic(ethyl carbonic)anhydride 
• 1334630-72-6 (S)-methyl 3-(dibenzylamino)-4-oxo-4-(2,4,5-trifluorophenyl)butanoate 

Relevant articles and documents

SITAGLIPTIN INTERMEDIATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF

Sitagliptin intermediate compounds of formula (f) and methods of preparation and use thereof are disclosed. Compounds of formula (f) are prepared by the following steps: compounds of formula (a) are subjected to electrophilic reaction with benzyl halides to form compounds of formula (b), which then react with compounds of formula (i) to form novel compounds of formula (e). Gignard agents formed from 2,4,5-trifluoro brmobenzene and magnesium metal react with compounds of formula (e) to afford compounds of formula (f), which are novel intermediates for the preparation of Sitagliptin intermediates of formula (g). Compounds of formula (f) are subjected to reduction by Pd/C, debenzylation, substitution of protecting group to form compounds of formula (g). Compounds of formula (a), (b), (i), (e), (f), and (g) have the following structures, in which R is protecting group of carboxyl and R2 is (substituted) hydrocarbyl.