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【结 构 式】 
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【分子编号】59980 【品名】(8S,9R,10S,13S,14S,17R)-17-[2-(acetyloxy)acetyl]-9-chloro-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl nicotinate 【CA登记号】 |
【 分 子 式 】C29H34ClNO6 【 分 子 量 】528.0448 【元素组成】C 65.96% H 6.49% Cl 6.71% N 2.65% O 18.18% |
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：(X)In a different approach, irradiation of (IX) in the presence of phenyliodine dichloride produced selectively the 9-chloro derivative (X). This was dechlorinated to the 9(11) olefin (XI) with AgBF4 in acetone. Hydrolysis of the ester groups of (XI) by K2CO3 in MeOH afforded diol (XII), which was finally converted to the title compound by selective reacetylation of the C-21 hydroxyl group.
| 【1】 Breslow, R.; Brandl, M.; Adam, A.D.; Hunger, J. (Columbia University); Selective chlorination of steroids and other substrates directed by covalently linked agents comprising a nitrogen-containing ring acting as templates. WO 8809337 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (IX) | 59979 | (8R,9S,10R,13S,14S,17R)-17-[2-(acetyloxy)acetyl]-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl nicotinate | C29H35NO6 | 详情 | 详情 | |
| (X) | 59980 | (8S,9R,10S,13S,14S,17R)-17-[2-(acetyloxy)acetyl]-9-chloro-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl nicotinate | C29H34ClNO6 | 详情 | 详情 | |
| (XI) | 59981 | (8S,10R,13S,14S,17R)-17-[2-(acetyloxy)acetyl]-10,13-dimethyl-3-oxo-2,3,6,7,8,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl nicotinate | C29H33NO6 | 详情 | 详情 | |
| (XII) | 59982 | (8S,10R,13S,14S,17R)-17-glycoloyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,10,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one | C21H28O4 | 详情 | 详情 |
Extended Information