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| | 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole Basic information |
| | 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole Chemical Properties |
| Melting point | 239-243 °C(lit.) | | Boiling point | 303.5±52.0 °C(Predicted) | | density | 1.52±0.1 g/cm3(Predicted) | | storage temp. | Sealed in dry,Store in freezer, under -20°C | | solubility | DMSO (Slightly), Methanol (Slightly) | | pka | 9.77±0.30(Predicted) | | color | Pale Yellow | | InChI | InChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)12-8(14)11-5/h1-3,7H,(H2,11,12,14) | | InChIKey | HJMVPNAZPFZXCP-UHFFFAOYSA-N | | SMILES | C1(=S)NC2=CC=C(OC(F)F)C=C2N1 | | CAS DataBase Reference | 97963-62-7(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-36/37 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29339900 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole Usage And Synthesis |
| Chemical Properties | Pale Yellow Solid | | Uses | Pantoprazole EP Impurity C. Pantoprazole USP Related Compound C. | | General Description | 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole may be used in the synthesis of pantoprazole, a drug for treating gastroesophageal reflux disease and gastrointestinal disorders. | | Synthesis | In a four-necked flask equipped with a mechanical stirrer, a reflux condenser and a thermometer, the alkaline solution was prepared: 6.6 g of sodium carbonate was dissolved in 20 g of tap water, stirred until completely dissolved, cooled slightly, and then 34.8 g of 4-(difluoromethoxy)benzene-1,2-diamine was added, stirring was continued for 20 minutes. The reaction mixture was heated to 30°C and 20 g of carbon disulfide was slowly added dropwise, controlling the dropwise temperature at 25-35°C. After the dropwise addition was completed, the temperature was raised to 30-40°C and the condensation reaction was maintained at this temperature for 6 hours. Subsequently, continue heating to 60-70°C and maintain this temperature for cyclization for 6 hours. After the reaction was completed, activated carbon was added for decolorization. The pH of the filtrate was adjusted to 5-6 with sulfuric acid, and after filtration, washing and drying, 33.2 g of 5-difluoromethoxy-2-mercapto-1H-benzimidazole was obtained in 95.4% yield (based on 4-(difluoromethoxy)benzene-1,2-diamine). | | References | [1] Patent: CN103539746, 2016, B. Location in patent: Paragraph 0037; 0038
[2] Advanced Synthesis and Catalysis, 2018, vol. 360, # 21, p. 4161 - 4167 |
| | 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole Preparation Products And Raw materials |
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