RARECHEM AL BE 1318
2-Phenyl-1,3-thiadiazole-4-carboxylic acid
CAS: 7113-10-2
Molecular Formula: C10H7NO2S
RARECHEM AL BE 1318 - Names and Identifiers
RARECHEM AL BE 1318 - Physico-chemical Properties
| Molecular Formula | C10H7NO2S |
| Molar Mass | 205.23 |
| Density | 1.368 |
| Melting Point | 175-177°C |
| Boling Point | 420.5±37.0 °C(Predicted) |
| Flash Point | 208.1°C |
| Vapor Presure | 8.04E-08mmHg at 25°C |
| pKa | 3.46±0.10(Predicted) |
| Storage Condition | 2-8°C |
RARECHEM AL BE 1318 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R36 - Irritating to the eyes R22 - Harmful if swallowed |
| 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. S37/39 - Wear suitable gloves and eye/face protection |
| HS Code | 29349990 |
| Hazard Class | IRRITANT |
RARECHEM AL BE 1318 - Reference Information
| use | 2-phenyl -1, 3-thiazol-4-carboxylic acid is widely used in the field of pharmaceutical and chemical industry as thiazol-4-carboxylic acid derivatives. Thiazol-4-formic acid is a key intermediate in the synthesis of thiabendazole. Thiabendazole is one of the earliest benzimidazole drugs developed. It was successfully developed by Mercadon in 1968. Thiabendazole is widely used, mainly as an antiparasitic drug, fungicide and preservative. |
| Preparation | Using benzaldehyde as raw material, 2-phenyl -1, 3-thiazol-4-carboxylic acid was synthesized by one-pot reaction with 3-(dimethylamino)-2-isocyanoacrylate. The method has mild reaction conditions, high purity, simple reaction operation, no catalyst, and can assemble various functional groups into molecules. Synthesis of 2-phenyl -1, 3-thiazol-4-formic acid Experimental operation: Synthesis of 2-phenyl -1, 3-thiazol-4-methyl formate In the reaction flask, benzaldehyde, 3-(dimethylamino)-2-isocyanomethyl acrylate and anhydrous methanol are sequentially added, anhydrous magnesium sulfate is added under stirring, cooled in ice water bath, and reacted at 0 ℃ for 2 h. The temperature was raised at 30 ℃ for 16 h. Vacuum spin dry solvent. 2-phenyl -1, 3-thiazol-4-formate methyl ester. Synthesis of 2-phenyl-1, 3-thiazol-4-formic acid In the reaction flask, methyl 2-phenyl-1, 3-thiazol-4-formate, aqueous solution of lithium hydroxide and methanol were added in turn, and the reaction was carried out at 30 ℃ for 6 h under stirring. The solvent was spirled in vacuum, adjusted to pH 3~5 with dilute hydrochloric acid, extracted with dichloromethane (2 × 50 mL), combined with the extract, concentrated and purified by silica gel column chromatography [eluent: V (dichloromethane):V (methanol) = 15:1] to obtain 2-phenyl-1, 3-thiazol-4-carboxylic acid. |
Last Update：2024-04-09 02:00:01
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