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【结 构 式】 
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【分子编号】13893 【品名】3-Isopropoxy-5-methoxy-1-benzothiophene-2-carboxylic acid 【CA登记号】 |
【 分 子 式 】C13H14O4S 【 分 子 量 】266.31776 【元素组成】C 58.63% H 5.3% O 24.03% S 12.04% |
与该中间体有关的原料药合成路线共 1 条
合成路线1
该中间体在本合成路线中的序号：(VII)Saponification of ester (IV) yields the alkoxycarboxylic acid (VII), which is coupled with 5-aminotetrazole in the presence of 1,1'-carbonylbis(1H-imidazole) (CDI) to provide the carboxamidotetrazole (VIII). Reaction of (VIII) with sodium hydroxide furnishes CI-959 (IX) as the tetrazole sodium salt.
| 【1】 Connor, D.T.; Cetenko, W.A.; Mullican, M.D.; Novel benzothiophene-, benzofuran-, and naphthalenecarboxamidotetrazoles as potential antiallergy agents. J Med Chem 1992, 35, 5, 958-65. |
| 【2】 Unangst, P.C.; Connor, D.T.; Low, J.E.; Conroy, M.C.; CI-959. Drugs Fut 1994, 19, 1, 17. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (IV) | 13890 | methyl 3-isopropoxy-5-methoxy-1-benzothiophene-2-carboxylate | C14H16O4S | 详情 | 详情 | |
| (VII) | 13893 | 3-Isopropoxy-5-methoxy-1-benzothiophene-2-carboxylic acid | C13H14O4S | 详情 | 详情 | |
| (VIII) | 13894 | 3-Isopropoxy-5-methoxy-N-(1H-1,2,3,4-tetraazol-5-yl)-1-benzothiophene-2-carboxamide | C14H15N5O3S | 详情 | 详情 |
Extended Information