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【结 构 式】 
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【分子编号】56316 【品名】(8R,9S,13S,14S,17S)-13-methyl-17-(phosphonooxy)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl bis(2-chloroethyl)carbamate 【CA登记号】 |
【 分 子 式 】C23H32Cl2NO6P 【 分 子 量 】520.389382 【元素组成】C 53.09% H 6.2% Cl 13.63% N 2.69% O 18.45% P 5.95% |
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：(V)Estradiol 3-N-bis(2-chloroethyl)carbamate (IV) was prepared by treatment of estradiol (I) with either the carbamoyl chloride (II) or the carbamoyl bromide (III) in the presence of various bases such as triethylamine and DMAP or DBU. Phosphorylation of (IV) with phosphorus oxychloride and pyridine, followed by aqueous hydrolysis, produced the 17-O-phosphate ester (V). This was converted to the corresponding disodium salt by treatment with sodium methoxide.
| 【1】 Stamvik, A.R.; Kristensson, S.K. (Leo Pharma AB); A selective acylation process. EP 0138153 . |
| 【2】 Ohwaki, K.; Niino, H.; Method for selective acylation of estradiol. EP 0614909 . |
| 【3】 Ohwaki, K.; Niino, H.; norose, S.; Method for purification of estramustin phosphate or salt thereof. EP 0612760 . |
| 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) | 56313 | N,N-Bis(2-chloroethyl)carbamoyl chloride; Bis(2-chloroethyl)carbamoyl chloride | 2998-56-3 | C5H8Cl3NO | 详情 | 详情 |
| (III) | 56314 | 1-[(bromocarbonyl)(2-chloroethyl)amino]-2-chloroethane | C5H8BrCl2NO | 详情 | 详情 | |
| (IV) | 56315 | (8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl bis(2-chloroethyl)carbamate | C23H31Cl2NO3 | 详情 | 详情 | |
| (V) | 56316 | (8R,9S,13S,14S,17S)-13-methyl-17-(phosphonooxy)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl bis(2-chloroethyl)carbamate | C23H32Cl2NO6P | 详情 | 详情 |
Extended Information