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【结 构 式】 
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【分子编号】42221 【品名】2-ethylbutanal 【CA登记号】97-96-1 |
【 分 子 式 】C6H12O 【 分 子 量 】100.16068 【元素组成】C 71.95% H 12.08% O 15.97% |
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：(XII)In a different procedure, N-(4-bromophenyl)-2-benzothiazolamine (XI) was converted into the lithio derivative and subsequently condensed with 2-ethylbutanal (XII) to give carbinol (XIII). Treatment of (XIII) with methanesulfonyl chloride and triethylamine provided mesylate (XIV), which was finally displaced by 1,2,4-triazole (V), yielding the title compound.
| 【1】 Venet, M.G.; Mabire, D.J.-P.; Lacrampe, J.F.A.; Sanz, G.C. (Janssen Pharmaceutica NV); N-[4-(heteroarylmethyl)phenyl]-heteroarylamines. EP 0907650; JP 2000503670; US 6124330; WO 9749704 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (V) | 13135 | 1H-1,2,4-Triazole; 1,2,4-Triazole | 288-88-0 | C2H3N3 | 详情 | 详情 |
| (XI) | 42220 | N-(4-bromophenyl)-1,3-benzothiazol-2-amine; N-(1,3-benzothiazol-2-yl)-N-(4-bromophenyl)amine | C13H9BrN2S | 详情 | 详情 | |
| (XII) | 42221 | 2-ethylbutanal | 97-96-1 | C6H12O | 详情 | 详情 |
| (XIII) | 42222 | 1-[4-(1,3-benzothiazol-2-ylamino)phenyl]-2-ethyl-1-butanol | C19H22N2OS | 详情 | 详情 | |
| (XIV) | 42223 | 1-[4-(1,3-benzothiazol-2-ylamino)phenyl]-2-ethylbutyl methanesulfonate | C20H24N2O3S2 | 详情 | 详情 |
Extended Information