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【结 构 式】 
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【分子编号】41976 【品名】(E)-3-(4-bromophenyl)-2-propenoic acid 【CA登记号】 |
【 分 子 式 】C9H7BrO2 【 分 子 量 】227.05738 【元素组成】C 47.61% H 3.11% Br 35.19% O 14.09% |
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：(IV)The precursor bromoether (III) was prepared by condensation of 4,4’-difluorobenzhydrol (I) with 2-bromoethanol (II) under acidic conditions. Treatment of 4-bromocinnamic acid (IV) with thionyl chloride afforded acid chloride (V), which was coupled with ethylenediamine (VI) to furnish mono amide (VII). The title compound was finally obtained by alkylation of amine (VII) with bromide (III) in the presence of K2CO3.
| 【1】 Elmaleh, D.R.; Fischman, A.J.; Hanson, R.N.; Choi, S.-W.; Design, synthesis, and biological evaluation of novel non-piperazine analogues of 1-[2-(diphenylmethoxy]ethyl]- and 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]4-(3-phenylpropyl)piperazines as dopamine transporter inhibitors. J Med Chem 1999, 42, 18, 3647. |
| 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) | 41974 | 4,4'-Difluorobenzhydrol; bis(4-Fluorophenyl)methanol; alpha-(4-fluorophenyl)benzenemethanol; 4-fluoro-alpha-(4-fluorophenyl)benzenemethanol | 365-24-2 | C13H10F2O | 详情 | 详情 |
| (II) | 10059 | Ethylene bromohydrin; 2-Bromo-1-ethanol | 540-51-2 | C2H5BrO | 详情 | 详情 |
| (III) | 41975 | 1-[(2-bromoethoxy)(4-fluorophenyl)methyl]-4-fluorobenzene; bis(4-fluorophenyl)methyl 2-bromoethyl ether | C15H13BrF2O | 详情 | 详情 | |
| (IV) | 41976 | (E)-3-(4-bromophenyl)-2-propenoic acid | C9H7BrO2 | 详情 | 详情 | |
| (V) | 41977 | (E)-3-(4-bromophenyl)-2-propenoyl chloride | C9H6BrClO | 详情 | 详情 | |
| (VI) | 14754 | ethylenediamine;1,2-Diaminoethane;ethane-1,2-diamine；1,2-Ethanediamine | 107-15-3 | C2H8N2 | 详情 | 详情 |
| (VII) | 41978 | (E)-N-(2-aminoethyl)-3-(4-bromophenyl)-2-propenamide | C11H13BrN2O | 详情 | 详情 |
Extended Information