1256815-03-8

Basic information

• Product Name: 4-(2,4,5-trifluorophenyl)-3-oxobutanoic acid
• Synonyms: 4-(2,4,5-trifluorophenyl)-3-oxobutanoic acid
• CAS NO: 1256815-03-8
• Molecular Weight: 232.159
• Mol File: 1256815-03-8.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 4-(2,4,5-trifluorophenyl)-3-oxobutanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2,4,5-trifluorophenyl)-3-oxobutanoic acid(1256815-03-8)
• EPA Substance Registry System: 4-(2,4,5-trifluorophenyl)-3-oxobutanoic acid(1256815-03-8)

Safety Data

• Hazardous Substances Data: 1256815-03-8(Hazardous Substances Data)

Upstream product

• 1176895-65-0 2-(2,4,5-trifluorophenyl)acetyl chloride 
• 18457-04-0 bis(trimethylsilyl) malonate 
• 209995-38-0 (2,4,5-trifluorophenyl)acetic acid 

Downstream Products

• 868071-17-4 3(S)-4-(2,4,5-trifluorophenyl)-3-hydroxybutanoic acid 
• 922178-94-7 (S)-3-((tert-butoxycarbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoic acid 
• 764667-65-4 1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione 
• 847445-81-2 dehydrositagliptin 

Relevant articles and documents

Method for preparing Sitagliptin intermediate

The invention belongs to the field of organic synthesis and particularly relates to a method for preparing a Sitagliptin intermediate. The intermediate has a structure represented by a formula A shownin the description, wherein R1 and R2 are the same, or are differently hydrogen or C1-C5 alkyl, more preferably, R1 is tert-butyl, and R2 is hydrogen.

Synthesis, biological assay in vitro and molecular docking studies of new imidazopyrazinone derivatives as potential dipeptidyl peptidase IV inhibitors

A series of novel imidazopyrazinone derivatives were synthesized and evaluated with regard to their ability to inhibit dipeptidyl peptidase IV (DPP-IV) in vitro. Of these compounds (2R)-4-oxo-4-[2-(3-carbamoylbenzyl)- hexahydro-3-oxoimidazo [1,5-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan- 2-amine fumaric acid (17h, IC50 = 78 nM) was shown to effectively inhibit the activity of the dipeptidyl peptidase IV enzyme. Molecular docking studies were also performed to illustrate the binding mode of compounds 15c and 17h. Favorable interactions were identified from the binding of inhibitor 15c with DPP-IV. By analogy to the binding mode of compound 15c, it seems that the introduction of a substituted benzyl moiety onto the imidazopyrazinone could remarkably improve the inhibitory activity of compound 17h.