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

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.

(S)-2-amino-3-(2,4,5-trifluorophenyl)propionic acid menthyl ester hydrochloride and preparation method and application thereof

The invention provides (S)-2-amino-3-(2,4,5-trifluorophenyl)propionic acid menthyl ester hydrochloride and a preparation method and application thereof and belongs to the technical field of medicinalchemistry. According to the technical problem of low synthesis efficiency of sitagliptin is solved. The technical scheme is that the structural formula of the (S)-2-amino-3-(2,4,5-trifluorophenyl)propionic acid menthyl ester hydrochloride is in the description below. The (S)-2-amino-3-(2,4,5-trifluorophenyl)propionic acid menthyl ester hydrochloride has the advantages that the (S)-2-amino-3-(2,4,5-trifluorophenyl)propionic acid menthyl ester hydrochloride is a novel compound, raw materials used for preparation are cheap and easy to obtain, the process is simple, and the yield is as high as 83.3%.

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.