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| | 5-(1H-Pyrrol-1-yl)-1H-benzo[d]imidazole-2-thiol Basic information |
| Product Name: | 5-(1H-Pyrrol-1-yl)-1H-benzo[d]imidazole-2-thiol | | Synonyms: | 1,3-dihydro-5-(1H-pyrrol-1-yl)-2H-Benzimidazole-2-thione;5-pyrrol-1-yl-1,3-dihydrobenzimidazole-2-thione;5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole;2H-Benzimidazole-2-thione, 1,3-dihydro-5-(1H-pyrrol-1-yl)-;5-(1H-purrole-1-yl)-2-marcapto- benzimidazole;5-(1H-pyrrol-1-yl)-1H-benzo[d]iMidazole-2-thiol;Ilaprazole Intermediate 2;5- (1H pyrrolidine-1-yl) -2-mercaptobenzimidazole | | CAS: | 172152-53-3 | | MF: | C11H9N3S | | MW: | 215.27 | | EINECS: | 1308068-626-2 | | Product Categories: | | | Mol File: | 172152-53-3.mol | ![5-(1H-Pyrrol-1-yl)-1H-benzo[d]imidazole-2-thiol Structure](CAS/GIF/172152-53-3.gif) |
| | 5-(1H-Pyrrol-1-yl)-1H-benzo[d]imidazole-2-thiol Chemical Properties |
| Boiling point | 381.7±44.0 °C(Predicted) | | density | 1.40 | | storage temp. | 2-8°C | | solubility | DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) | | form | Solid | | pka | 9.61±0.30(Predicted) | | color | White to Pale Green | | InChI | InChI=1S/C11H9N3S/c15-11-12-9-4-3-8(7-10(9)13-11)14-5-1-2-6-14/h1-7H,(H2,12,13,15) | | InChIKey | YYXGYVYKGRUILQ-UHFFFAOYSA-N | | SMILES | C1(=S)NC2=CC=C(N3C=CC=C3)C=C2N1 |
| | 5-(1H-Pyrrol-1-yl)-1H-benzo[d]imidazole-2-thiol Usage And Synthesis |
| Uses | 5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole is a pharmaceutical intermediate compound used in the synthesis of various drugs such as ilaprazole, gastric and ulcer drugs. | | Synthesis | Water (100ml) and anhydrous sodium acetate (16.02g, 0.20mole) were added, and then 2-mercapto-5- aminobenzimidazole (32.27g, 0.20mole),2,5-dimethoxytetrahydrofuran (28.4g, 0.21mole), and acetic acid (100ml) were added. Then, stirring was carried out at 5O℃ for 4 hours. The resultant product was cooled to 50C, and tetrahydrofuran (420ml) was added. The mixture was neutralized with a sodium hydroxide aqueous solution, and water (130ml) was added to carry out layer- separation. Then, an organic layer was washed with a sodium hydroxide aqueous solution. The organic layer was dried by anhydrous magnesium sulfate and concentrated, and then crystallized by ethyl acetate and n-hexane to provide a final compound, that is 5-(1H-Pyrrol-1-yl)-1H-benzo[d]imidazole-2-thiol. Yield: 35.7g (85%) |
| | 5-(1H-Pyrrol-1-yl)-1H-benzo[d]imidazole-2-thiol Preparation Products And Raw materials |
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