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| Methyl 3-Oxo-4-(2,4,5-trifluorophenyl)butanoate Basic information |
| Product Name: | Methyl 3-Oxo-4-(2,4,5-trifluorophenyl)butanoate | | Synonyms: | 3-OXO-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRIC ACID METHYL ESTER;2,4,5-TRIFLUORO-BETA-OXO-BENZENEBUTANOIC ACID METHYL ESTER;Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate;4-(2,4,5 )triflorophenyl 3-oxobutanoic acid, Methy ester;3-oxo-4-(2,4,5-trifluorophenyl;Benzenebutanoicacid,2,4,5-trifluoro-b-oxo-,Methylester;Methyl 2,4,5-trifluoro-b-oxo-benzenebutanoate;Methyl 3-oxo-4-(2,4,5-trifluorophenyl) | | CAS: | 769195-26-8 | | MF: | C11H9F3O3 | | MW: | 246.19 | | EINECS: | 1308068-626-2 | | Product Categories: | | Mol File: | 769195-26-8.mol |
| Methyl 3-Oxo-4-(2,4,5-trifluorophenyl)butanoate Chemical Properties |
| 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. | under inert gas (nitrogen or Argon) at 2-8°C | | solubility | DMSO (Slightly), Methanol (Slightly) | | form | Solid | | pka | 9.95±0.46(Predicted) | | color | Pale Yellow to Light Yellow |
| Methyl 3-Oxo-4-(2,4,5-trifluorophenyl)butanoate Usage And Synthesis |
| Chemical Properties | Off-white solid | | Uses | Methyl 3-Oxo-4-(2,4,5-trifluorophenyl)butanoate 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. |
| Methyl 3-Oxo-4-(2,4,5-trifluorophenyl)butanoate Preparation Products And Raw materials |
| Raw materials | Benzeneacetyl chloride, 2,4,5-trifluoro--->Potassium 3-methoxy-3-oxopropanoate-->2,4,5-Trifluorophenylacetic acid-->Benzenebutanoic acid, 2,4,5-trifluoro-β-hydroxy-, methyl ester-->5-1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene-2,2-dimethyl-1,3-dioxane-4,6-dione-->Methyl bromoacetate-->Methanol | | Preparation Products | (Z)-Methyl 3-aMino-4-(2,4,5-trifluorophenyl)but-2-enoate-->Benzenebutanoicacid,b-aMino-2,4,5-trifluoro-,Methylester,(bR)- |
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