(13S)-3,17-dimethoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene

• 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: (13S)-3,17-dimethoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene
• 化学式: C₂₀H₂₆O₂
• 分子量: 298.4
• InChiKey: NNRMIOWQQGLNSO-MPTUAUJUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• PROCESS FOR THE PRODUCTION OF ESTETROL INTERMEDIATES
  申请人：ESTETRA S.A.

  公开号：US20140107358A1

  公开（公告）日：2014-04-17

  The present invention relates to a process for the preparation of a compound of formula (I) said process comprising the steps of: a) reacting a compound of formula (II), with an acylating or a silylating agent to produce a compound of formula (III), wherein P 1 and P 2 are each independently a protecting group selected from R 2− Si—R 3 R 4 , or R 1 CO—, wherein R 1 is a group selected from C 1-6 alkyl or C 3-6 cycloalkyl, each group being optionally substituted by one or more substituents independently selected from fluoro or C 1-4 alkyl; R 2 , R 3 and R 4 are each independently a group selected from C 1-6 alkyl or phenyl, each group being optionally substituted by one or more substituents independently selected from fluoro or C 1-4 alkyl; b) reacting the compound of formula (III) in the presence of palladium acetate or a derivative thereof to produce compound of formula (IV); and c) reacting the compound of formula (IV) with a reducing agent to produce compound of formula (I).

  本发明涉及一种制备式（I）化合物的方法，该方法包括以下步骤：a）将式（II）化合物与酰化剂或硅化剂反应，以产生式（III）化合物，其中P1和P2各自独立地选择自R2−Si—R3R4或R1CO—的保护基，其中R1为选择自C1-6烷基或C3-6环烷基的基团，每个基团可以选择地被一个或多个取代基独立地选择自氟或C1-4烷基取代；R2、R3和R4各自独立地选择自C1-6烷基或苯基的基团，每个基团可以选择地被一个或多个取代基独立地选择自氟或C1-4烷基取代；b）在钯醋酸或其衍生物的存在下，将式（III）化合物反应，以产生式（IV）化合物；c）将式（IV）化合物与还原剂反应，以产生式（I）化合物。
• Process for the Production of Estetrol
  申请人：Estetra S.P.R.L.

  公开号：US20140243539A1

  公开（公告）日：2014-08-28

  The present invention relates to a process for the preparation of a compound of formula (I), hydrates or solvates thereof.

  本发明涉及一种制备公式(I)化合物及其水合物或溶剂化物的过程。
• US8987484B2
  申请人：——

  公开号：US8987484B2

  公开（公告）日：2015-03-24