| Identification | Back 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 Properties | Back 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 Information | Back 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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