pyrrolidinocarbonyl fluoroacetate de cholestanyle | 133527-70-5

• 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: pyrrolidinocarbonyl fluoroacetate de cholestanyle
• 英文别名: [(3S,5S,8R,9S,10S,13R,14S,17R)-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]phenanthren-3-yl] 2-fluoro-3-oxo-3-pyrrolidin-1-ylpropanoate
• CAS: 133527-70-5
• 化学式: C₃₄H₅₆FNO₃
• 分子量: 545.822
• InChiKey: HUVHRNWFGVCNLE-QMEMOOMTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  四氢吡咯 、 tetrafluoro-2,3,3,3 propanoate de cholestanyle 在 苄基三乙基溴化铵 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 以37%的产率得到pyrrolidinocarbonyl fluoroacetate de cholestanyle
  参考文献：
  名称：

  Synthese de β-enaminoperfluoroesters, β-imino-α-hydroperfluoroesters et β-amido-α-fluoroesters

  摘要：

  The title compounds were synthesized in a high yield one pot procedure from alpha-H-perfluoroesters and aliphatic amines. From primary amines, the beta-imino tautomer was shown to be more stable than the enamino one, which is only observed with butanoic derivatives, as a minor component. The reaction did not occur with aromatic amines. In the propanoic series, the reaction product was the beta-amido-alpha-fluoroester.

  DOI：

  10.1016/s0022-1139(00)80302-4