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【结 构 式】 
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【分子编号】46772 【品名】 【CA登记号】 |
【 分 子 式 】C28H29BrO5Re 【 分 子 量 】711.64626 【元素组成】C 47.26% H 4.11% Br 11.23% O 11.24% Re 26.17% |
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：(Z)-(V)4,4'-Dihydroxybenzophenone (I) is condensed with 1,4-dibromobutane (II) by means of KH in THF/DMF to afford monoalkylated compound (III), which is then subjected to a McMurry cross-coupling reaction with the organometallic compound (IV) in refluxing THF in the presence of TiCl4 and Zn to provide the isomeric mixture (V). Finally, bromo compound (V) is converted into the target product by first heating with dimethylamine (HNMe2) in MeOH followed by isomer separation by means of preparative HPLC chromatography.
| 【1】 Jaouen, G.; et al.; First anti-oestrogen in the cyclopentadienyl rhenium tricarbonyl series. Synthesis and study of antiproliferative effects. Chem Commun (London) 2001, 4, 383. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (Z)-(V) | 46772 | C28H29BrO5Re | 详情 | 详情 | ||
| (E)-(V) | 46773 | C28H29BrO5Re | 详情 | 详情 | ||
| (I) | 20637 | bis(4-hydroxyphenyl)methanone | 611-99-4 | C13H10O3 | 详情 | 详情 |
| (II) | 11883 | 1,4-Dibromobutane; 1,4-Butylene bromide | 110-52-1 | C4H8Br2 | 详情 | 详情 |
| (III) | 46770 | [4-(4-bromobutoxy)phenyl](4-hydroxyphenyl)methanone | C17H17BrO3 | 详情 | 详情 | |
| (IV) | 46771 | C11H12O4Re | 详情 | 详情 |
Extended Information