methyl (5R,8S,9S,10S,13R,14S,16R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-16-carboxylate | 143168-01-8

• 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: methyl (5R,8S,9S,10S,13R,14S,16R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-16-carboxylate
• CAS: 143168-01-8
• 化学式: C₂₁H₃₄O₂
• 分子量: 318.5
• InChiKey: PYSNPTUXOFDGGM-QTIHQBRYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  甲醇 、 一氧化碳 、 Δ¹⁶-androstene 在 bis-triphenylphosphine-palladium(II) chloride 作用下， 120.0 ℃ 、12.0 MPa 条件下， 以85%的产率得到methyl (5R,8S,9S,10S,13R,14S,16R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-16-carboxylate
  参考文献：
  名称：

  Hydroalkoxycarbonylation of androstene derivatives

  摘要：

  Various esters are conveniently prepared by direct hydroesterification of the corresponding androstene derivatives with alcohols and carbon monoxide catalyzed by a palladium-phosphine catalyst with high stereoselectivity.

  DOI：

  10.1016/s0040-4039(00)92531-0

文献信息

• Hydroalkoxycarbonylation of androstene derivatives
  作者：Szilárd Törös、Bálint Heil、György Gálik、Zoltán Tuba

  DOI：10.1016/s0040-4039(00)92531-0

  日期：1992.6

  Various esters are conveniently prepared by direct hydroesterification of the corresponding androstene derivatives with alcohols and carbon monoxide catalyzed by a palladium-phosphine catalyst with high stereoselectivity.