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【结 构 式】 
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【分子编号】54365 【品名】4-fluoro-1-nitro-2-(2,2,2-trifluoroethoxy)benzene; 5-fluoro-2-nitrophenyl 2,2,2-trifluoroethyl ether 【CA登记号】 |
【 分 子 式 】C8H5F4NO3 【 分 子 量 】239.1262528 【元素组成】C 40.18% H 2.11% F 31.78% N 5.86% O 20.07% |
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：(III)The intermediate arylpiperazine (VI) was prepared as follows: Reaction of 2,4-difluoronitrobenzene (I) with trifluoroethanol (II) in the presence of potassium tert-butoxide yielded the trifluoroethyl ether (III). After catalytic hydrogenation of the nitro group of (III), the resultant aniline (IV) was cyclized with bis(2-chloroethyl) amine hydrochloride (V) in a refluxing mixture of o-dichlorobenzene and n-hexanol to afford the target piperazine (VI).
| 【1】 Bantle, G.W.; Elworthy, T.R.; Guzman, A.; Jaime-Figueroa, S.; Lopez-Tapia, F.J.; Morgans, D.J. Jr.; Perez-Medrano, A.; Pfister, J.R.; Sjogren, E.B.; Talamas, F.X. (F. Hoffmann-La Roche AG); Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivs. as alpha1-adrenergic receptor antagonists. EP 0748800; JP 1997100269 . |
| 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) | 32036 | 2,4-difluoro-1-nitrobenzene | 446-35-5 | C6H3F2NO2 | 详情 | 详情 |
| (II) | 19483 | 2,2,2-trifluoro-1-ethanol | 75-89-8 | C2H3F3O | 详情 | 详情 |
| (III) | 54365 | 4-fluoro-1-nitro-2-(2,2,2-trifluoroethoxy)benzene; 5-fluoro-2-nitrophenyl 2,2,2-trifluoroethyl ether | C8H5F4NO3 | 详情 | 详情 | |
| (IV) | 54366 | 4-fluoro-2-(2,2,2-trifluoroethoxy)aniline; 4-fluoro-2-(2,2,2-trifluoroethoxy)phenylamine | C8H7F4NO | 详情 | 详情 | |
| (V) | 21583 | 2-chloro-N-(2-chloroethyl)-1-ethanamine; Bis(2-chloroethyl)amine; 1,1'-iminobis(2-chloroethane); N,N-bis(2-chloroethyl)amine | 821-48-7 | C4H9Cl2N | 详情 | 详情 |
| (VI) | 54367 | 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazine; 5-fluoro-2-(1-piperazinyl)phenyl 2,2,2-trifluoroethyl ether | C12H14F4N2O | 详情 | 详情 |
Extended Information