Introduction：Basic information about 2-MERCAPTO-5-METHOXYBENZIMIDAZOLE CAS 37052-78-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-MERCAPTO-5-METHOXYBENZIMIDAZOLE Basic informationDescription
| Product Name: | 2-MERCAPTO-5-METHOXYBENZIMIDAZOLE |
| Synonyms: | 5-Methoxye-2-mercaplobenzinidazole;TIMTEC-BB SBB000219;5-METHOXY-1H-BENZO[D]IMIDAZOLE-2-THIOL;5-Methoxybenzimidazole-2-thiol;5-METHOXY-2-THIOBENZIMIDAZOLE;5-METHOXY-2-MERCAPTOBENZIMIDAZOLE;5-METHOXY-2-BENZIMIDAZOLETHIOL;2-MERCAPTO-5-METHOXY-1H-BENZIMIDAZOLE |
| CAS: | 37052-78-1 |
| MF: | C8H8N2OS |
| MW: | 180.23 |
| EINECS: | 253-326-2 |
| Product Categories: | OLED materials,pharm chemical,electronic;Aromatics;Sulfur & Selenium Compounds;BENZIMIDAZOLE;Benzimidazoles;Building Blocks;Heterocyclic Building Blocks;BUILDING BLOCKS;Imidazol&Benzimidazole;(intermediate of omeprazole);bc0001;OLED;37052-78-1 |
| Mol File: | 37052-78-1.mol |
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2-MERCAPTO-5-METHOXYBENZIMIDAZOLE Chemical Properties
| Melting point | 261-263 °C(lit.) |
| Boiling point | 309.4±44.0 °C(Predicted) |
| density | 1.2425 (rough estimate) |
| vapor pressure | 0.001Pa at 25℃ |
| refractive index | 1.5690 (estimate) |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly), Methanol (Sparingly) |
| form | Powder |
| pka | 10.13±0.30(Predicted) |
| color | Off-white to light yellow-brown |
| Water Solubility | insoluble |
| Sensitive | Air Sensitive |
| BRN | 3605123 |
| InChI | 1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12) |
| InChIKey | KOFBRZWVWJCLGM-UHFFFAOYSA-N |
| SMILES | COc1ccc2[nH]c(S)nc2c1 |
| LogP | 1.52-2.399 |
| CAS DataBase Reference | 37052-78-1(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi,Xn |
| Risk Statements | 36/37/38-37-22 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29332900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral
Aquatic Chronic 3
Skin Sens. 1 |
2-MERCAPTO-5-METHOXYBENZIMIDAZOLE Usage And Synthesis
| Description | 2-Mercapto-5-methoxybenzimidazole is used in the preparation of COX-2 inhibitors. It is also employed in the preparation of compounds such as 5-methoxy-2[[(4-methoxy-3, 5-dimethyl-2-pyridinyl) methyl] sulfonyl]-1H-benzimidazole, 5-methoxy-2[[(4-methoxy-3, 5-dimethylpyridin-2-yl-1-oxide) methyl] sulfonyl]-1H-benzimidazole as well as tris[μ-1,2-bis(diphenylphosphino)ethane]-1:2κ2P:P′;1:3κ2P:P′;2:3κ2P:P′-di-μ-bromido-1:2κ4Br:Br-bromido-3κBr-tricopper(I) acetone hemisolvate. Furthermore, it acts as a hetercocyclic building block and serves as an intermediate of drug omeprazole1. Finally, it acts as an intermediate for manufacture of the anti-ulcer drug Omeprazole. |
| Chemical Properties | off-white to light yellowish-brown powder |
| Uses | Reagent used in the synthesis of COX-2 inhibitors |
| Uses | 2-Mercapto-5-methoxybenzimidazole is used in the preparation of COX-2 inhibitors. It is also employed in the preparation of compounds such as 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole and 5-methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl-1-oxide)methyl]sulfonyl]-1H-benzimidazole. Further, it acts as a hetercocyclic building block and serves as an intermediate of drug omeprazole. |
| Uses | 5-Methoxy-2-benzimidazolethiol may be used in the preparation of compounds present as contaminants in omeprazole, such as 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole and 5-methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl-1-oxide)methyl]sulfonyl]-1H-benzimidazole. It may be used in the synthesis of tris[μ-1,2-bis(diphenylphosphino)ethane]-1:2κ2P:P′;1:3κ2P:P′;2:3κ2P:P′-di-μ-bromido-1:2κ4Br:Br-bromido-3κBr-tricopper(I) acetone hemisolvate. |
| General Description | Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards |
| Flammability and Explosibility | Not classified |
2-MERCAPTO-5-METHOXYBENZIMIDAZOLE Preparation Products And Raw materials
| Preparation Products | Omeprazole-->Ufiprazole-->2-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-nitrophenyl)acetamide |
