aza-1 oxo-2 hydroxy-4 phenyl-4 bicyclo<3.3>octane | 61846-07-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: aza-1 oxo-2 hydroxy-4 phenyl-4 bicyclo<3.3>octane
• 英文别名: 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans-；(1S,8S)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
• CAS: 61846-07-9
• 化学式: C₁₃H₁₅NO₂
• 分子量: 217.268
• InChiKey: MBHDVQFYBHHHEQ-AAEUAGOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-苯基-3-(1-吡咯烷基)-1,3-丙烷二酮 以 叔丁醇 为溶剂， 反应 20.0h， 以17%的产率得到aza-1 oxo-2 hydroxy-4 phenyl-4 bicyclo<3.3>octane
  参考文献：
  名称：

  Synthèse et influence de la stéréochimie sur l'activité anticonvulsivante d'aza-1 bicyclo[3.3.0]octanes

  摘要：

  New diastereo-isomeric 1-aza[3.3.0]bicyclo octanes have been prepared by a photochemistry process. They have been separated by chromatography and identified by 300 MHz 1H-NMR study. Trans derivative has shown more marked anticonvulsant effects than cis isomere did. Graphic modelling revealed the importance of the aromatic ring position in relation to bicyclic system for activity.

  DOI：

  10.1016/0223-5234(91)90034-k

文献信息

• Synthèse et influence de la stéréochimie sur l'activité anticonvulsivante d'aza-1 bicyclo[3.3.0]octanes
  作者：L Diafi、C Rubat、P Coudert、P Bastide、N Margoum、P Tronchel

  DOI：10.1016/0223-5234(91)90034-k

  日期：1991.3

  New diastereo-isomeric 1-aza[3.3.0]bicyclo octanes have been prepared by a photochemistry process. They have been separated by chromatography and identified by 300 MHz 1H-NMR study. Trans derivative has shown more marked anticonvulsant effects than cis isomere did. Graphic modelling revealed the importance of the aromatic ring position in relation to bicyclic system for activity.