(1S,3R,4S)-endo-2-phenyl-3-(p-tolyl)-2-azabicyclo[2.2.2]octan-5-one | 1427441-71-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (1S,3R,4S)-endo-2-phenyl-3-(p-tolyl)-2-azabicyclo[2.2.2]octan-5-one
• 英文别名: (1S,3R,4S)-3-(4-methylphenyl)-2-phenyl-2-azabicyclo[2.2.2]octan-5-one
• CAS: 1427441-71-1
• 化学式: C₂₀H₂₁NO
• 分子量: 291.393
• InChiKey: UBTHYSITNIDPND-NSHGMRRFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-环己烯-1-酮 、 N-(P-甲基苯亚甲基)苯胺 在 C₂₆H₃₀CoN₂O₆^(1-)*H⁽¹⁺⁾ 作用下， 以 四氯化碳 为溶剂， 反应 48.0h， 以56%的产率得到
  参考文献：
  名称：

  Aza-Diels–Alder reaction catalyzed by novel chiral metalocomplex Brønsted acids

  摘要：

  A series of Co(III) anionic complexes of Schiff bases obtained from salicylaldehydes and enantiomerically pure amino acids has been synthesized. The outersphere counterion was exchanged by H+ and the novel chiral Bronsted acids were used to induce asymmetry into an aza-Diels-Alder reaction. The influence of the temperature, solvent polarity, and structural modification of the chiral anions on the enantioselectivity of the process has also been investigated. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2013.01.011