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ChemicalBook--->CAS DataBase List--->769195-26-8

769195-26-8

769195-26-8 Structure

769195-26-8 Structure
IdentificationBack Directory
[Name]

3-OXO-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRIC ACID METHYL ESTER
[CAS]

769195-26-8
[Synonyms]

RETAG-003
Sitagliptin-10
Sitagliptin Impurity 55
Sitagliptin EP Impurity 17
3-oxo-4-(2,4,5-trifluorophenyl
Methyl 3-oxo-4-(2,4,5-trifluorophenyl)
Methyl 2,4,5-trifluoro-b-oxo-benzenebutanoate
Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate
Benzenebutanoicacid,2,4,5-trifluoro-b-oxo-,Methylester
2,4,5-Trifluoro-β-oxo-benzenebutanoic Acid Methyl Ester
4-(2,4,5 )triflorophenyl 3-oxobutanoic acid, Methy ester
3-oxo-4-(2,4,5-trifluorophenyl)butanoic acid methyl ester
Benzenebutanoic acid, 2,4,5-trifluoro-β-oxo-, methyl ester
4-(2,4,5-trifluoro-phenyl)-3-oxo-butyric acid methyl ester
3-OXO-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRIC ACID METHYL ESTER
2,4,5-TRIFLUORO-BETA-OXO-BENZENEBUTANOIC ACID METHYL ESTER
[EINECS(EC#)]

1308068-626-2
[Molecular Formula]

C11H9F3O3
[MDL Number]

MFCD09833197
[MOL File]

769195-26-8.mol
[Molecular Weight]

246.19
Chemical PropertiesBack Directory
[Melting point ]

40-41 °C
[Boiling point ]

273.3±35.0 °C(Predicted)
[density ]

1.330±0.06 g/cm3(Predicted)
[refractive index ]

1.469
[Fp ]

115.5±20.8 °C
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

9.95±0.46(Predicted)
[color ]

Pale Yellow to Light Yellow
Hazard InformationBack Directory
[Chemical Properties]

Off-white solid
[Uses]

Methyl 3-Oxo-4-(2,4,5-trifluorophenyl)butanoate(769195-26-8) is a useful synthetic intermediate in the synthesis of Sitagliptin (S491000); a trizolopyrazine dipeptidyl peptidase (DPP) IV inhibitor for the treatment of type II diabetes.
[Preparation]

The preparation of methyl 3-Oxo-4-(2,4,5-trifluorophenyl)butanoate is as follows:Stage 1: (2,4,5-trifluorophenyl)acetic acid With 1,1'-carbonyldiimidazole In acetonitrile for 3.5h;Stage 2: monomethyl monopotassium malonate With triethylamine; magnesium chloride In acetonitrile at 50℃; for 8h;Stage 3: In acetonitrile at 30℃; for 26h.
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