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【结 构 式】 
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【分子编号】34885 【品名】3-[2-(methylsulfanyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine 【CA登记号】 |
【 分 子 式 】C11H11F3N2OS2 【 分 子 量 】308.3484296 【元素组成】C 42.85% H 3.6% F 18.48% N 9.09% O 5.19% S 20.8% |
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：(IV)Treatment of 4-(trifluoromethoxy)aniline (I) with thiocyanogen, generated from KSCN and Br2 in cold AcOH, afforded riluzole (II). Regioselective alkylation of (II) with 2-(methylthio)ethyl chloride (III) in refluxing methyl ethyl ketone then gave compound (IV), which was finally oxidized to the title sulfoxide by means of m-chloroperbenzoic acid.
| 【1】 Barreau, M.; Audiau, F.; Jimonet, P.; et al.; Riluzole series. Synthesis and in vivo "antiglutamate" activity of 6-substituted-2-benzothiazolamines and 3-substituted-2-imino-benzothiazolines. J Med Chem 1999, 42, 15, 2828. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (I) | 11131 | 4-(Trifluoromethoxy)aniline; 4-(Trifluoromethoxy)phenylamine | 461-82-5 | C7H6F3NO | 详情 | 详情 |
| (II) | 34884 | 6-(trifluoromethoxy)-1,3-benzothiazol-2-ylamine; 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine | 1744-22-5 | C8H5F3N2OS | 详情 | 详情 |
| (III) | 16149 | 2-Chloroethyl methyl sulfide; 1-Chloro-2-(methylsulfanyl)ethane | 542-81-4 | C3H7ClS | 详情 | 详情 |
| (IV) | 34885 | 3-[2-(methylsulfanyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine | C11H11F3N2OS2 | 详情 | 详情 |
Extended Information