4-Isoxazolecarbonyl chloride, 3,5-dimethyl- (7CI,8CI,9CI)
3,5-dimethylisoxazole-4-carbonyl chloride
CAS: 31301-45-8
Molecular Formula: C6H6ClNO2
4-Isoxazolecarbonyl chloride, 3,5-dimethyl- (7CI,8CI,9CI) - Names and Identifiers
4-Isoxazolecarbonyl chloride, 3,5-dimethyl- (7CI,8CI,9CI) - Physico-chemical Properties
| Molecular Formula | C6H6ClNO2 |
| Molar Mass | 159.57 |
| Density | 1.282±0.06 g/cm3(Predicted) |
| Boling Point | 90°C 15mm |
| Flash Point | 99.2°C |
| Water Solubility | Reacts with water. |
| Vapor Presure | 0.038mmHg at 25°C |
| pKa | -2.98±0.28(Predicted) |
| Sensitive | Moisture Sensitive |
| Refractive Index | 1.4960 to 1.5000 |
4-Isoxazolecarbonyl chloride, 3,5-dimethyl- (7CI,8CI,9CI) - Risk and Safety
| Risk Codes | R34 - Causes burns R36 - Irritating to the eyes |
| 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. S26/36/37/39/45/60 - S20 - When using, do not eat or drink. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S25 - Avoid contact with eyes. |
| UN IDs | 3265 |
| HS Code | 29349990 |
| Hazard Note | Irritant |
| Hazard Class | 8 |
| Packing Group | II |
4-Isoxazolecarbonyl chloride, 3,5-dimethyl- (7CI,8CI,9CI) - Reference Information
| Introduction | 3, 5-dimethylisoxazole-4-formyl chloride is a heterocyclic derivative, which can be used as a pharmaceutical intermediate, used in pharmaceutical experimental research and pharmaceutical synthesis. |
| Use | 3, 5-dimethylisoxazole-4-carbonyl chloride was used as the research compound. |
| synthesis method | using ethyl (Z)-3-(pyrrolidin-1-yl) 2-butanoate as starting material, the key intermediate 3, 5-dimethylisoxazole-4-carboxylic acid ethyl ester was prepared by ring-closing reaction, and 3, 5-dimethylisoxazole-4-carboxylic acid was obtained by acid hydrolysis, finally, the target compound 3, 5-dimethylisoxazole-4-carbonyl chloride was prepared by reacting with oxalyl chloride. The synthesis reaction formula is as follows: |
Last Update：2024-04-09 21:11:58
