1276113-56-4

Basic information

• Product Name: methyl (3 S)-3-(tert-butoxycarbonylamino)-4-hydroxy-4-(2,4,5-trifluorophenyl)butyrate
• Synonyms: methyl (3 S)-3-(tert-butoxycarbonylamino)-4-hydroxy-4-(2,4,5-trifluorophenyl)butyrate
• CAS NO: 1276113-56-4
• Molecular Weight: 363.334
• Mol File: 1276113-56-4.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: methyl (3 S)-3-(tert-butoxycarbonylamino)-4-hydroxy-4-(2,4,5-trifluorophenyl)butyrate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl (3 S)-3-(tert-butoxycarbonylamino)-4-hydroxy-4-(2,4,5-trifluorophenyl)butyrate(1276113-56-4)
• EPA Substance Registry System: methyl (3 S)-3-(tert-butoxycarbonylamino)-4-hydroxy-4-(2,4,5-trifluorophenyl)butyrate(1276113-56-4)

Safety Data

• Hazardous Substances Data: 1276113-56-4(Hazardous Substances Data)

Upstream product

• 327-52-6 1-bromo-2,4,5-trifluorobenzene 
• 909295-29-0 methyl (S)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoate 

Downstream Products

• 1276113-62-2 (S)-methyl 3-(tert-butoxycarbonylamino)-4-(trifluoromethanesulfonate)-4-(2,4,5-trifluorophenyl)-n-butyrate 
• 486460-00-8 (3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid 
• 881995-73-9 3-(R)-tert-butoxycarbonylamino-4-(2,4,5-trifluorophenyl)butyric acid methyl ester 

Relevant articles and documents

SITAGLIPTIN INTERMEDIATES, PREPARATION METHODS AND USES THEREOF

The present invention relates to Sitagliptin intermediate and preparation method and use thereof. The method comprises reacting compound of formula (II) and trifluorobromobenzene with a Grignard reagent by a Grignard reaction to obtain a compound of formula (I). Compound of formula (I) is a new intermediate compound for the synthesis of Sitagliptin. Compound of formula (I) can be easily used for preparing another important intermediate compound of formula (V) for the synthesis of Sitagliptin. The structures of the compounds mentioned above are as the following: