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【结 构 式】

【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