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【结 构 式】 
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【分子编号】48011 【品名】4-fluoro-1-methyl-2-nitrobenzene 【CA登记号】446-10-6 |
【 分 子 式 】C7H6FNO2 【 分 子 量 】155.1285832 【元素组成】C 54.2% H 3.9% F 12.25% N 9.03% O 20.63% |
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：(I)The indole intermediate (V) has been obtained as follows: The reaction of 4-fluoro-2-nitrotoluene (I) with dimethylformamide dimethylacetal afforded enamine (II). Reductive cyclization of (II) by hydrogenation over Pd/C produced 6-fluoroindole (III). Subsequent condensation of indole (III) with piperidone monohydrate (IV) in the presence of KOH furnished the intermediate indolyl tetrahydropyridine (V).
| 【1】 Fairhurst, J. (Eli Lilly and Company); Substd. 4-(6-fluoro-(1H)-indol-3-yl)-1,2,3,6-tetrahydropyridine for the treatment of CNS-disorders. EP 0854146; WO 9831686 . |
| 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) | 48011 | 4-fluoro-1-methyl-2-nitrobenzene | 446-10-6 | C7H6FNO2 | 详情 | 详情 |
| (II) | 48012 | N-[(E)-2-(4-fluoro-2-nitrophenyl)ethenyl]-N,N-dimethylamine; (E)-2-(4-fluoro-2-nitrophenyl)-N,N-dimethyl-1-ethenamine | C10H11FN2O2 | 详情 | 详情 | |
| (III) | 48013 | 6-Fluoroindole; 6-Fluoro-1H-indole | 399-51-9 | C8H6FN | 详情 | 详情 |
| (IV) | 18178 | 4,4-piperidinediol | 73390-11-1 | C5H11NO2 | 详情 | 详情 |
| (V) | 18014 | tert-butyl 4-[2-[2-([[(2S)-2-[[(2-bromo-4-methylphenyl)sulfonyl]amino]-3-(tert-butoxy)-3-oxopropyl]amino]carbonyl)-4-oxo-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]ethyl]-1-piperidinecarboxylate | C34H49BrN6O8S | 详情 | 详情 |
Extended Information