(17'R)-18',18'-dimethylspiro[1,3-dioxolane-2,8'-19,22-dioxapentacyclo[12.8.0.01,17.04,13.05,10]docosa-3,5(10)-diene]

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧环庚烷
• 英文名称: (17'R)-18',18'-dimethylspiro[1,3-dioxolane-2,8'-19,22-dioxapentacyclo[12.8.0.01,17.04,13.05,10]docosa-3,5(10)-diene]
• 化学式: C₂₄H₃₄O₄
• 分子量: 386.5
• InChiKey: RJNFROCKWLMZMK-OPOIPDHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  28
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• ULIPRISTAL ACETATE PREPARATION METHOD AND INTERMEDIATE THEREOF
  申请人：Utopharm (Shanghai) Co., Ltd

  公开号：EP2774933A1

  公开（公告）日：2014-09-10

  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 the 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.

  本发明提供了一种制备乙酸乌利司他酯（化合物 I）的方法和新中间体，以及制备新中间体的方法。组成式 IV 中的中间体可与甲基锂或甲基格氏试剂反应，反应后保护基容易去除，副反应少，中期处理简单，所用试剂便宜，成本低，收率高，如果由组成式 III 中的化合物与组成式 IV 中的中间体反应得到组成式 V 中的化合物，两步反应的收率为 75%，纯度高于 98%。 其中 R 的定义见说明书。