29490-19-5
2-Mercapto-5-methyl-1,3,4-thiadiazole
CAS: 29490-19-5
Molecular Formula: C3H4N2S2
29490-19-5 - Names and Identifiers
29490-19-5 - Physico-chemical Properties
| Molecular Formula | C3H4N2S2 |
| Molar Mass | 132.21 |
| Density | 1.373 (estimate) |
| Melting Point | 185-188 °C |
| Boling Point | 182.9±23.0 °C(Predicted) |
| Flash Point | 64.4°C |
| Water Solubility | 2 g/100 mL |
| Solubility | chloroform: soluble10mg/mL, clear to very slightly hazy, colorless |
| Vapor Presure | 0.791mmHg at 25°C |
| Appearance | White to bright milky white powder |
| Color | White to Off-White |
| BRN | 606663 |
| pKa | 6.49±0.40(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5500 (estimate) |
| MDL | MFCD00038349 |
| Physical and Chemical Properties | White crystalline powder. Melting point 184 °c. |
| Use | Mainly used as an intermediate of cefazolin sodium |
29490-19-5 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| HS Code | 29349990 |
| Hazard Note | Irritant |
29490-19-5 - Nature
Open Data Verified Data
white crystals. The melting point was 174-175 °c. Soluble in hot water, soluble in ethanol.
Last Update：2024-01-02 23:10:35
29490-19-5 - Preparation Method
Open Data Verified Data
ethyl acetate method, thioacetamide method.
- The ethyl acetate method is obtained by reacting with hydrazine hydrate and then heating and cyclizing.
- thioacetamide method each example: 112g of thioacetamide was dissolved in of dimethylformamide, and G of hydrazine hydrate was added dropwise at a temperature of 10 ° C. Or lower. 137g of carbon disulfide was then added dropwise to th at a temperature below 10 °c. th was then stirred at 35 °c. The reaction solution was gradually heated to 100 ° C., and the hydrogen sulfide was driven out until no hydrogen sulfide occurred. Then, of dimethylformamide was distilled off under reduced pressure. The concentrated reaction solution was added with 250ml of water and cooled to 20 °c. The precipitated crystals were filtered, washed with water, and dried to obtain 169g of product with a yield of 85.4% and a content of 99.7%.
Last Update：2022-01-01 10:57:44
29490-19-5 - Introduction
Soluble in hot water, soluble in ethanol
Last Update：2022-10-16 17:24:20
29490-19-5 - Use
Open Data Verified Data
is the raw material of cefazolin, cefoxitin, and azolone cephalosporin.
Last Update：2022-01-01 10:57:43
29490-19-5 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| use | this product is an intermediate of antibiotic drug cephalosporin v mainly used as an intermediate of cefazolin sodium used as a pharmaceutical intermediate mainly used as an intermediate of cefazolin sodium (pioneer 5). |
| Production method | It is obtained by hydrazinization, addition, and cyclization of ethyl acetate. Ethyl acetate, hydrazine hydrate and anhydrous ethanol were heated and refluxed for 5h to obtain acetylhydrazine ethanol solution. Then it is cooled. Add carbon disulfide and stir at 25 ℃ for 1h. Then cooled, let stand and filtered. The filter cake was washed with absolute ethanol to obtain potassium N-acetylhydrazinyl dithioformate. After low-temperature drying, it is added to concentrated acid below -5°C in stages, and stirred at a temperature not exceeding 5°C. Then the reactants are frozen and filtered. The filter cake is washed with a large amount of ice water to remove the free sulfuric acid, and then dried under low temperature vacuum to obtain thiadiazole. |
Last Update：2024-04-10 22:29:15
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