cholestan-3-yl diphenylphosphinate

• 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: cholestan-3-yl diphenylphosphinate
• 英文别名: (8R,9S,10S,13R,14S,17R)-3-diphenylphosphoryloxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
• 化学式: C₃₉H₅₇O₂P
• 分子量: 588.854
• InChiKey: NGNKRBVLRFOROV-CYRAMPNDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  cholestan-3-yl diphenylphosphinate 在 NBu₄BF₄ 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以95%的产率得到cholestane
  参考文献：
  名称：

  Novel Electrochemical Deoxygenation Reaction Using Diphenylphosphinates

  摘要：

  The electrochemical reduction of diphenylphosphinate esters leads smoothly and in high yields to the corresponding deoxygenated products. In comparison with the previously developed methodologies, the electrolysis could be performed at lower temperature and with a higher current density, resulting in a shorter reaction time.

  DOI：

  10.1021/ol102714s
• 作为产物：
  描述：

  胆甾烷-3-醇 、 二苯基次膦酰氯 在 咪唑 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 以79%的产率得到cholestan-3-yl diphenylphosphinate
  参考文献：
  名称：

  Novel Electrochemical Deoxygenation Reaction Using Diphenylphosphinates

  摘要：

  The electrochemical reduction of diphenylphosphinate esters leads smoothly and in high yields to the corresponding deoxygenated products. In comparison with the previously developed methodologies, the electrolysis could be performed at lower temperature and with a higher current density, resulting in a shorter reaction time.

  DOI：

  10.1021/ol102714s