4-Bromoisatin
4-Bromoisatin
CAS: 20780-72-7
Molecular Formula: C8H4BrNO2
4-Bromoisatin - Names and Identifiers
| Name | 4-Bromoisatin |
| Synonyms | 4-Bromoisatin 4-BROMOISATIN 4-BROMOINDOLE-2,3-DIONE 4-BROMOINDOLINE-2,3-DIONE 4-Bromo-1H-indole-2,3-dione 4-BROMO-1H-INDOLE-2,3-DIONE |
| CAS | 20780-72-7 |
| EINECS | 640-250-3 |
| InChI | InChI=1/C8H4BrNO2/c9-4-2-1-3-5-6(4)7(11)8(12)10-5/h1-3H,(H,10,11,12) |
| InChIKey | ITRAKBJPMLKWIW-UHFFFAOYSA-N |
4-Bromoisatin - Physico-chemical Properties
| Molecular Formula | C8H4BrNO2 |
| Molar Mass | 226.03 |
| Density | 1.826±0.06 g/cm3(Predicted) |
| Melting Point | 253-256 |
| Solubility | soluble in Dimethylformamide |
| Appearance | Red powder |
| Color | Light yellow to Brown |
| pKa | 8.73±0.20(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.649 |
| MDL | MFCD03618555 |
4-Bromoisatin - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Hazard Class | IRRITANT |
4-Bromoisatin - Reference Information
| application | 4-bromoisatin is an organic bromide that can be used as an intermediate in pharmaceutical synthesis. |
| preparation method | preparation method of 4-bromoisatin:(1) dissolve 0.05mol of 3-bromoaniline, 0.15mol of hydroxylamine hydrochloride, 0.35mol of sodium sulfate, 0.06mol of 2N hydrochloric acid and chloral hydrate per 250mL of water, react at 90 ℃ for 2h, after TLC detection reaction is complete, filter the reaction system, concentrate the filtrate under reduced pressure and directly carry out the next reaction; (2) adding the compound obtained in step (1) to 20mL of stirred concentrated sulfuric acid solution in batches, heating the reaction mixture to 65 ℃; After TLC analysis determines that the reaction is completed, the reaction mixture is cooled to room temperature and poured into ice water (250mL); Washing the solid precipitate with water and drying; Dissolve the crude product in NaOH aqueous solution (5%,100mL) and acidify it with 4NHCl(20mL); the precipitated product was filtered, washed and dried (compound 3b was obtained, with a two-step total yield of 64%). |
Last Update：2024-04-09 20:52:54
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