345-32-4
5-(Trifluoromethyl)Isatin
CAS: 345-32-4
Molecular Formula: C9H4F3NO2
345-32-4 - Names and Identifiers
345-32-4 - Physico-chemical Properties
| Molecular Formula | C9H4F3NO2 |
| Molar Mass | 215.13 |
| Density | 1.525±0.06 g/cm3(Predicted) |
| Melting Point | 246 °C(Solv: acetic acid (64-19-7)) |
| pKa | 9.48±0.20(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
345-32-4 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
345-32-4 - Reference Information
| use | 5-trifluoromethyl isatin is a typical indole diketone derivative, widely used in the fields of medicine and chemical industry. |
| preparation | replacing trifluoromethyl benzaldehyde as the starting material, after preparing the key intermediate of hydroxylamine, 5-trifluoromethyl indigo red is prepared by ring-closing reaction. The preparation reaction formula is shown in the following figure: sodium methoxide (28% methanol solution, 87ml) cooled to -8°C in a 100ml methanol solution of 5-trifluoromethylbenzaldehyde and 39.8g of methyl azide acetate is slowly dropped into a 200ml methanol solution under stirring. After stirring at the same temperature for 2 hours, pour the reaction solution into ice water, filter and collect the precipitated crystals, wash with water, and dry to obtain azide. The solution of 14.4g obtained azide in 120ml xylene was slowly dropped into 300ml boiling xylene. Subsequently, the mixture was refluxed for 1 h, then cooled, the precipitated crystals were collected by filtration and dried to obtain methyl 5-trifluoromethyl-indole-2-carboxylate. mp182-183 ℃. To 300ml of methyl 5-trifluoromethyl-indole-2-carboxylate methanol solution, 35 ml of 2N sodium hydroxide was added, and heated and refluxed for 2 hours. Next, methanol is distilled under reduced pressure and the residue is diluted with water and acidified with hydrochloric acid. The precipitated crystals were filtered to collect, washed with water and dried to obtain 7.9 g5, 7-difluoro-5-trifluoromethyl-indole-2-carboxylic acid. 5.6gN,N-dichloroethyl carbamate was added to an aqueous acetic acid solution of 4.0 g5-trifluoromethyl-indole-2-carboxylic acid (84ml acetic acid -21ml water) under ice cold. Stir for 1 hour. Water was added to the reaction solution, extracted with ethyl acetate, the organic layer was washed with saturated salt water, and dried with anhydrous magnesium sulfate. The solvent was distilled under reduced pressure, the residue was dissolved in 60ml of 50% aqueous methanol solution, heated to reflux for 1 hour, and stirred overnight at room temperature. Decompression distilled to remove methanol, add water to the residue, extract with ethyl acetate, wash the organic layer with saturated salt water, and dry with anhydrous magnesium sulfate. The solvent was concentrated under reduced pressure and the residue was purified by silica gel column chromatography and recrystallized from ethyl acetate-n-hexane to give the title compound 5-trifluoromethyl isatin. |
Last Update：2024-04-10 22:29:15
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View History
345-32-4
86718-08-3
二級丁醇
nickel dihydrate
4561-70-0
94086-65-4
METHYLERGONOVINE MALEATE
Phosphorous acid tris(1-methylethyl) ester
arthriticine
硝酸异丁酯
86718-08-3
二級丁醇
nickel dihydrate
4561-70-0
94086-65-4
METHYLERGONOVINE MALEATE
Phosphorous acid tris(1-methylethyl) ester
arthriticine
硝酸异丁酯