1,3-diphenyl-2-(p-dimethylaminophenyl)iminopropane-1,3-dione | 4755-00-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1,3-diphenyl-2-(p-dimethylaminophenyl)iminopropane-1,3-dione
• 英文别名: 2-[4-(Dimethylamino)phenyl]imino-1,3-diphenylpropane-1,3-dione
• CAS: 4755-00-4
• 化学式: C₂₃H₂₀N₂O₂
• 分子量: 356.424
• InChiKey: VUQXGLYPAXEQEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  49.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  二苯甲酰基甲烷 、 N,N-二甲基-4-亚硝基苯胺 生成 1,3-diphenyl-2-(p-dimethylaminophenyl)iminopropane-1,3-dione
  参考文献：
  名称：

  Configurational and Conformational Mobility in a Cross-Conjugated Derivative of 1,3-Diketo-2-iminopropane

  摘要：

  [GRAPHICS]Mobility of configuration and conformation in the "push-pull" cross-conjugated derivative 1,3-diphenyl-2-(p-dimethylaminophenyl)iminopropane-1,3-dione has been investigated by NMR, The energetics of the thermal process that interconnects the syn and anti-configurations of the imino group with the atropisomeric conformations of the skewed benzoyl groups are defined, It is proposed that a symmetric Y-delocalized transition state thermally interconnects the inversion of the imino configurations with the mobile interchange of the skewed benzoyl conformations. This connection is observable through a unique NMR window.

  DOI：

  10.1021/ol990636z