tetrafluoro-2,3,3,3 propanoate de cholestanyle | 97509-95-0

• 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: tetrafluoro-2,3,3,3 propanoate 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] 2,3,3,3-tetrafluoropropanoate
• CAS: 97509-95-0
• 化学式: C₃₀H₄₈F₄O₂
• 分子量: 516.704
• InChiKey: NJBPHGBVDBHGCY-UANRBNDJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  哌啶 、 tetrafluoro-2,3,3,3 propanoate de cholestanyle 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 为溶剂， 反应 10.0h， 以44%的产率得到piperidinocarbonyl 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
• 作为产物：
  描述：

  [(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] 2,2,3,3,3-pentafluoropropanoate 以75%的产率得到
  参考文献：
  名称：

  PORTELLA, C.;IZNADEN, M., TETRAHEDRON, 45,(1989) N0, C. 6467-6478

  摘要：

  DOI：

文献信息

• Defluoration photoreductive d'esters d'acides perfluores: Synthese d'hydro-2 perfluoroalcanoates d'alkyle
  作者：C. Portella、M. Iznaden

  DOI：10.1016/s0040-4020(01)89523-5

  日期：1989.1
• Photoréduction d'esters d'acides perfluorés dans l'hexaméthylphosphortriamide (HMPT). Elimination sélective du fluor en α du groupe carboxyle
  作者：C. Portella、J.P. Pete

  DOI：10.1016/s0040-4039(00)61882-8

  日期：1985.1
• PORTELLA, C.;IZNADEN, M., TETRAHEDRON, 45,(1989) N0, C. 6467-6478
  作者：PORTELLA, C.、IZNADEN, M.

  DOI：——

  日期：——
• PORTELLA, C.;PETE, J. P., TETRAHEDRON LETT., 1985, 26, N 2, 211-214
  作者：PORTELLA, C.、PETE, J. P.

  DOI：——

  日期：——
• Synthese de β-enaminoperfluoroesters, β-imino-α-hydroperfluoroesters et β-amido-α-fluoroesters
  作者：C. Portella、M. Iznaden

  DOI：10.1016/s0022-1139(00)80302-4

  日期：1991.1

  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.