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【结 构 式】 
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【药物名称】 【化学名称】1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-4-methyl-1H-benzimidazole 【CA登记号】199594-65-5 【 分 子 式 】C21H14F4N2 【 分 子 量 】370.35273 |
【开发单位】National Cancer Institute (Originator), Southern Research Institute (Originator) 【药理作用】AIDS Medicines, Anti-HIV Agents, ANTIINFECTIVE THERAPY, Reverse Transcriptase Inhibitors |
合成路线1
2-Methyl-6-nitroaniline (I) was acylated with 2,6-difluorobenzoyl chloride (II) to afford the nitroanilide (III). Reduction of the nitro group of (III) with concomitant cyclization using iron powder in refluxing HOAc furnished the benzimidazole (IV). Finally, N-alkylation of (IV) with 2,6-difluoro-alpha-bromotoluene (V) in the presence of NaH provided the title compound.
| 【1】 Morningstar, M.; Roth, T.; Michejda, C.J. (US Department of Health & Human Services); Substd. benzimidazoles as non-nucleoside inhibitors of reverse transcriptase. WO 0114343 . |
| 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) | 46329 | 2-methyl-6-nitroaniline; 2-methyl-6-nitrophenylamine | C7H8N2O2 | 详情 | 详情 | |
| (II) | 46330 | 2,6-difluorobenzoyl chloride | C7H3ClF2O | 详情 | 详情 | |
| (III) | 46331 | 2,6-difluoro-N-(2-methyl-6-nitrophenyl)benzamide | C14H10F2N2O3 | 详情 | 详情 | |
| (IV) | 46332 | 2-(2,6-difluorophenyl)-4-methyl-1H-benzimidazole | C14H10F2N2 | 详情 | 详情 | |
| (V) | 22316 | 2-(bromomethyl)-1,3-difluorobenzene | 85118-00-9 | C7H5BrF2 | 详情 | 详情 |
Extended Information