1,2-Thiazol
Isothiazole
CAS: 288-16-4
Molecular Formula: C3H3NS
1,2-Thiazol - Names and Identifiers
| Name | Isothiazole |
| Synonyms | EOS-61208 1,2-Thiazol Isothiazole 1,2-thiazole 1,2-Thiazole 2-Azathiophene 288-16-4 Isothiazole |
| CAS | 288-16-4 |
| InChI | InChI=1/C3H3NS/c1-2-4-5-3-1/h1-3H |
1,2-Thiazol - Physico-chemical Properties
| Molecular Formula | C3H3NS |
| Molar Mass | 85.13 |
| Density | 1.1566 (rough estimate) |
| Melting Point | 176 °C (decomp)(Solv: water (7732-18-5)) |
| Boling Point | 114°C(lit.) |
| Solubility | Chloroform, Ethyl Acetate |
| Vapor Presure | 908mmHg at 25°C |
| Appearance | Oil |
| Color | Clear Colourless |
| Maximum wavelength(λmax) | ['242nm(lit.)'] |
| pKa | 4.00±0.12(Predicted) |
| Storage Condition | Sealed in dry,Store in freezer, under -20°C |
| Refractive Index | 1.5280 to 1.5320 |
1,2-Thiazol - Risk and Safety
| UN IDs | UN 1993 3/PG II |
| Hazard Class | 3 |
| Packing Group | II |
1,2-Thiazol - Reference Information
| application | isothiazole is an important pharmaceutical intermediate, and its derivatives are widely used in medicine, sterilization and other fields. |
| preparation | adding o-iodobenzenesulfonic acid (1.5kg,5.3mol) and potassium persulfate complex salt (132kg,215mol) to acetonitrile (176kg), adding propargyl alcohol (15kg,268mol), heating to 70 ℃, heating for 5 hours, tracking the end of the reaction, pressing filtration to obtain acetonitrile solution of proparacetylene aldehyde, gas phase purity of central control products> 90%. The acetonitrile solution of propargaldehyde is cooled to -15 ℃, acetic acid (15kg) is slowly added first, and then water (99kg) solution of sodium thiosulfate (77kg) is slowly added. The reaction is exothermic. After adding, keep it at -5 ℃ and stir for 30 minutes, and filter to obtain the addition product salt intermediate. Nuclear magnetic resonance characterization of the product salt intermediate 1H NMR(D2O): 9.6(1H, d, J = 2.8Hz), 7.86(1H, d, J = 10Hz), 6.56(1H, dd, J = 10Hz). The intermediate is unstable and should not be placed for a long time. The next response needs to be put into action as soon as possible. The ammonia water (60kg) is cooled to 0 ℃, the above salt intermediate is added in batches, stirred at this temperature for 2 hours, the reaction is finished, dichloromethane is added for extraction twice, organic phases are combined, and isothiazole is distilled at normal pressure. Isothiazole is a colorless liquid with a pyridine-like odor. Boiling point 114 ℃. |
Last Update：2024-04-09 21:54:55
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View History
1,2-Thiazol
烯丙基二甘醇碳酸酯
5-羟基萘-1-磺酸
四氢硫代吡喃-4-基甲醇
(4S)-4-Fluor-D-prolin
2-Phenyl-piperazine
N-Nitrosopyrrolidine
盐酸甲哌卡因
azidotributyltin(iv)
4S)-5-甲基-2
烯丙基二甘醇碳酸酯
5-羟基萘-1-磺酸
四氢硫代吡喃-4-基甲醇
(4S)-4-Fluor-D-prolin
2-Phenyl-piperazine
N-Nitrosopyrrolidine
盐酸甲哌卡因
azidotributyltin(iv)
4S)-5-甲基-2