norethisterone pentamethyldisilyloxy ether | 71203-43-5

• 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: norethisterone pentamethyldisilyloxy ether
• 英文别名: norethisterone pentamethyldisiloxy ether；(8R,9S,10R,13S,14S,17R)-17-[dimethyl(trimethylsilyloxy)silyl]oxy-17-ethynyl-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
• CAS: 71203-43-5
• 化学式: C₂₅H₄₀O₃Si₂
• 分子量: 444.762
• InChiKey: XTTYWKFESCDXOT-AIOSZGMZSA-N

物化性质

• 沸点：
  460.8±45.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.07
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  氯五甲基二硅氧烷 、 炔诺酮 在 thallium (I) ethoxide 作用下， 生成 norethisterone pentamethyldisilyloxy ether
  参考文献：
  名称：

  Long-acting contraceptive agents: Esters of norethisterone with α- and/or β-chain branching

  摘要：

  The synthesis of eighteen esters of norethisterone (17 alpha-ethynyl-17 beta-hydroxyestr-4-en-3-one) is described. These all possess some form of alpha- and/or beta-substitution in the ester side-chain. The work was undertaken in order to evaluate any long-acting fertility control effect intrinsic in such compounds. A pentamethyl disiloxy ether was also included in the group of substances prepared for testing because of its similar substitution pattern.

  DOI：

  10.1016/0039-128x(83)90096-x

文献信息

• Long-acting contraceptive agents: Esters of norethisterone with α- and/or β-chain branching
  作者：T.G. Watson、M. Hosking、J.E. Herz、J.V. Torres、J. Muller、A. Murillo、S. Cruz、A. Shafiee、M. Vossoghi、F. Savabi、S. Sotheeswaran、V. Puvanesarajah

  DOI：10.1016/0039-128x(83)90096-x

  日期：1983.3

  The synthesis of eighteen esters of norethisterone (17 alpha-ethynyl-17 beta-hydroxyestr-4-en-3-one) is described. These all possess some form of alpha- and/or beta-substitution in the ester side-chain. The work was undertaken in order to evaluate any long-acting fertility control effect intrinsic in such compounds. A pentamethyl disiloxy ether was also included in the group of substances prepared for testing because of its similar substitution pattern.