(13S)-13-methyl-3-phosphanyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

• 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)-13-methyl-3-phosphanyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
• 化学式: C₁₈H₂₃O₂P
• 分子量: 302.3
• InChiKey: WOQAHTBHFYSTFD-GUZDXLFXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  26.3
• 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：US20140107091A1

  公开（公告）日：2014-04-17

  The present invention relates to a process for the preparation of a compound of formula (I) comprising the steps of a) reacting a compound of formula (II) with a silylating or an acylating agent to produce compound of formula (III), wherein P 1 is a protecting group selected from R 2 Si—R 3 R 4 or R 1 CO—, 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) halogenation or sulfinylation of the compound of formula (III) to produce a compound of formula (IV); wherein X is halo, or —O—SO—R 5 , and R 5 is a group selected from C 6-10 aryl or heteroaryl, each group being optionally substituted by one or more substituents independently selected from chloro or C 1-4 alkyl; c) dehalogenation or desulfinylation of the compound of formula (IV) to produce compound of formula (V); and d) reacting the compound of formula (V) 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，包括以下步骤：a）将式（II）化合物与硅化剂或酰化剂反应，生成式（III）化合物，其中P1是从R2Si—R3R4或R1CO—中选择的保护基，R1是从C1-6烷基或C3-6环烷基中选择的基团，每个基团都可以被一个或多个取代基独立地选择，所述取代基选择自氟或C1-4烷基；R2、R3和R4各自独立地是从C1-6烷基或苯基中选择的基团，每个基团都可以被一个或多个取代基独立地选择，所述取代基选择自氟或C1-4烷基；b）卤代或亚磺酰化式（III）化合物，生成式（IV）化合物；其中X是卤素或—O—SO—R5，R5是从C6-10芳基或杂环芳基中选择的基团，每个基团都可以被一个或多个取代基独立地选择，所述取代基选择自氯或C1-4烷基；c）去卤代或去亚磺酰化式（IV）化合物，生成式（V）化合物；以及d）将式（V）化合物与还原剂反应，生成式（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。
• Process for the production of estetrol intermediates
  申请人：Pascal Jean-Claude

  公开号：US11053274B2

  公开（公告）日：2021-07-06

  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 P1 and P2 are each independently a protecting group selected from R2—Si—R3R4, or R1CO—, wherein R1 is a group selected from C1-6alkyl or C3-6cycloalkyl, each group being optionally substituted by one or more substituents independently selected from fluoro or C1-4alkyl; R2, R3 and R4 are each independently a group selected from C1-6alkyl or phenyl, each group being optionally substituted by one or more substituents independently selected from fluoro or C1-4alkyl; 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）化合物的工艺，所述工艺包括以下步骤：a) 式(II)化合物与酰化剂或硅烷化剂反应生成式(III)化合物，其中 P1 和 P2 各自独立地为选自 R2-Si-R3R4 或 R1CO- 的保护基团，其中 R1 为选自 C1-6 烷基或 C3-6 环烷基的基团，每个基团可任选被一个或多个独立选自氟或 C1-4 烷基的取代基取代；R2、R3 和 R4 各自独立地为选自 C1-6 烷基或苯基的基团，每个基团任选被一个或多个独立选自氟或 C1-4 烷基的取代基取代； b) 在乙酸钯或其衍生物存在下使式 (III) 化合物反应，生成式 (IV) 化合物；以及 c) 使式 (IV) 化合物与还原剂反应，生成式 (I) 化合物。
• US8987484B2
  申请人：——

  公开号：US8987484B2

  公开（公告）日：2015-03-24