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【结 构 式】 
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【分子编号】59408 【品名】(8R,9S,13S,14S,17S)-2-bromo-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol 【CA登记号】 |
【 分 子 式 】C18H23BrO2 【 分 子 量 】351.28342 【元素组成】C 61.55% H 6.6% Br 22.75% O 9.11% |
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)Estradiol (I) was brominated employing either bromine in acetic acid, 2,4,4,6-tetrabromocyclohexa-2,5-dienone, or N-bromosuccinimide to afford a mixture of 4-bromo (II) and 2-bromo (III) derivatives, which were separated by fractional crystallization. The target methoxy compound was then obtained by nucleophilic displacement of the bromide group from the 2-bromo isomer (III) by means of sodium methoxide in the presence of cuprous iodide and, optionally, a crown ether.
| 【1】 Narashima Rao, P.; Burdett, Jr.E.; A Novel, Two-Step Synthesis of 2-Methoxyestradiol. Synthesis 1977, 10, 3, 168-169. |
| 【2】 Chen, S.-H.; et al.; A new synthetic route to 2-and 4-methoxyestradiols by nucleophilic substitution. Steroids 1986, 47, 1, 63. |
| 【3】 Shah, J.H.; Agoston, G.E.; Treston, A.M. (EntreMed, Inc.); Methods of obtaining 2-methoxyestradiol of high purity. WO 0114405 . |
| 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) | 34210 | (8R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | 50-28-2 | C18H24O2 | 详情 | 详情 |
| (II) | 59407 | (8R,9S,13S,14S,17S)-4-bromo-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | C18H23BrO2 | 详情 | 详情 | |
| (III) | 59408 | (8R,9S,13S,14S,17S)-2-bromo-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | C18H23BrO2 | 详情 | 详情 |
Extended Information