98995-40-5
4-Isopropoxybenzenesulphonyl chloride
CAS: 98995-40-5
Molecular Formula: C9H11ClO3S
98995-40-5 - Names and Identifiers
98995-40-5 - Physico-chemical Properties
| Molecular Formula | C9H11ClO3S |
| Molar Mass | 234.7 |
| Density | 1.279±0.06 g/cm3(Predicted) |
| Melting Point | 30-35°C |
| Boling Point | 112°C 0,01mm |
| Flash Point | 112-113°C/0.01m |
| Vapor Presure | 0mmHg at 25°C |
| BRN | 3269058 |
| Storage Condition | Inert atmosphere,2-8°C |
| Sensitive | Moisture Sensitive |
| Refractive Index | 1.522 |
| MDL | MFCD03093083 |
98995-40-5 - Risk and Safety
| Risk Codes | 34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S27 - Take off immediately all contaminated clothing. |
| UN IDs | 3261 |
| HS Code | 29162090 |
| Hazard Class | 8 |
| Packing Group | II |
98995-40-5 - Reference Information
| Application | 4-isopropoxybenzenesulfonyl chloride can be used as an intermediate in organic synthesis, which can be prepared by the reaction of isopropoxybenzene and chlorosulfonic acid under the action of phosphorus pentachloride, it can be used to prepare compound 5-chloro-3-(2-fluorophenyl)-1-[(4-isopropioxyphenyl) sulfonyl] -6-methoxy-3-[3-(4-methylpiperazin-1-yl) propyl]-1, 3-dihydroindole-2-one hydrochloride, which exhibits high affinity and high selectivity for arginine vasopressin (AVP) receptors. |
| Preparation | Cool 10g of isopropoxybenzene to -10°C, drop 21.84ml of chlorosulfonic acid, then drop 13.68g of phosphorus pentachloride, and stir the mixture at -5°C for 1 hour. The reaction mixture was poured into 250ml of ice and water, extracted with DCM, the organic phase was dried by Na2SO4, and the solvent was evaporated in vacuum. The residue was chromatographed on silica gel, eluted with a cyclohexane/AcOEt mixture from (95/5;v/v) to (85/15;v/v) to obtain the expected compound 4-isoproxyxybenzenesulfonyl chloride, Mp = 93°C. |
Last Update：2024-04-10 22:29:15
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