| 131515-68-9

• 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
• CAS: 131515-68-9；131515-69-0
• 化学式: C₂₁H₃₃NO₄
• 分子量: 363.497
• InChiKey: RSZALTHHHIVRCG-QWSDNZPMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.93
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  79.12
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  去氢表雄酮 在 正丁基锂 、 亚硝酸乙酯 、 二异丙胺 作用下， 以59%的产率得到
  参考文献：
  名称：

  Isodicyclopentadienes and related molecules. 53. Unsymmetrical oxidative cleavage of cyclic ketones. Conversion to .omega.-ethoxycarbonyl aldoximes under alkaline conditions

  摘要：

  A useful procedure for effecting the direct unsymmetrical cleavage of an enolizable cyclic ketone to an oximino ester has been developed. The process begins by deprotonation with LDA and is followed by the addition of ethyl nitrite in THF at low temperature. Rapid reaction customarily ensues with resultant overall nitrosolysis. Of particular importance is the facile application of this procedure to substrate ketones that are otherwise sensitive to acidic environments. This feature is exemplified in particular in the case of syn- and anti-sesquinorbornenones 34 and 35, access to which is described for the first time. Since the entire process is executed in a single flask, the methodology is very convenient to implement in practice.

  DOI：

  10.1021/jo00002a040