(8S,13S,14S,17R)-17-ethyl-17-hydroxy-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,3'-dioxolane]-2-carbonitrile

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (8S,13S,14S,17R)-17-ethyl-17-hydroxy-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,3'-dioxolane]-2-carbonitrile
• 化学式: C₂₃H₃₁NO₃
• 分子量: 369.5
• InChiKey: WDVSNUAVZKUEEZ-YEGFYAASSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  27
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  62.5
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Method for preparing ulipristal acetate and key intermediate thereof
  申请人：Utopharm(Shanghai) Co., Ltd

  公开号：US20140296510A1

  公开（公告）日：2014-10-02

  A method as well as new intermediates for preparing Ulipristal acetate (a compound I) and a method for preparing the new intermediates are provided. The intermediate in a constitutional formula IV is conductive to reacting with methyl lithium or methyl Grignard reagent, a protective group is easy to be removed after a reaction, side reactions are few, a mid-term treatment is simple, the reagents used are cheap, costs are low and a yield is high, if a compound in a constitutional formula V is obtained by the reaction of a compound in a constitutional formula III and the intermediate in the constitutional formula IV, the yield of a two-step reaction is 75%, a purity is above 98%. wherein R is defined in the specification.

  提供了一种制备乌利普利斯特酸乙酯（化合物I）的新方法以及新中间体的方法。在结构式IV中的中间体有利于与甲基锂或甲基格氏试剂反应，反应后易于去除保护基，副反应较少，中期处理简单，所使用的试剂便宜，成本低且产率高，如果通过结构式III中的化合物与结构式IV中的中间体的反应获得结构式V中的化合物，则两步反应的产率为75％，纯度高于98％。其中R在规范中有定义。
• ULIPRISTAL ACETATE PREPARATION METHOD AND INTERMEDIATE THEREOF
  申请人：Utopharm (Shanghai) Co., Ltd

  公开号：EP2774933B1

  公开（公告）日：2018-02-21
• US9163058B2
  申请人：——

  公开号：US9163058B2

  公开（公告）日：2015-10-20