[1-tert-Butyl-3,4-diphenyl-imidazolidin-(2Z)-ylidene]-phenyl-amine | 136912-54-4

• 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: [1-tert-Butyl-3,4-diphenyl-imidazolidin-(2Z)-ylidene]-phenyl-amine
• CAS: 136912-54-4
• 化学式: C₂₅H₂₇N₃
• 分子量: 369.509
• InChiKey: IXOLJAXHQQWCFA-LCUIJRPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.04
• 重原子数：
  28.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  18.84
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  [1-tert-Butyl-3,4-diphenyl-imidazolidin-(2Z)-ylidene]-phenyl-amine 在 sodium hypochlorite 、 四丁基硫酸氢铵 作用下， 以 氯仿 为溶剂， 反应 18.0h， 以57%的产率得到1-tert-Butyl-3,4-diphenyl-imidazolidin-2-one
  参考文献：
  名称：

  Regiospecific palladium-catalyzed cycloaddition of aziridines and carbodiimides

  摘要：

  Bis(benzonitrile)palladium dichloride is an effective catalyst for the cycloaddition reaction of aziridines with carbodiimides to form imidazolidenimines in 40-94% yields. The process is a regiospecific one, involving cleavage of the more substituted ring carbon-nitrogen bond. An X-ray structure determination of one of the imidazolidinimines, together with spectral and analytical data for the products of all the cycloaddition reactions, provided the basis for the structure assignment.

  DOI：

  10.1021/jo00027a030
• 作为产物：
  描述：

  1-tert-butyl-2-phenylaziridine 、 2-氯-5-异氰酸硝基苯 在 二(氰基苯)二氯化钯 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以95%的产率得到[1-tert-Butyl-3,4-diphenyl-imidazolidin-(2Z)-ylidene]-phenyl-amine
  参考文献：
  名称：

  Regiospecific palladium-catalyzed cycloaddition of aziridines and carbodiimides

  摘要：

  Bis(benzonitrile)palladium dichloride is an effective catalyst for the cycloaddition reaction of aziridines with carbodiimides to form imidazolidenimines in 40-94% yields. The process is a regiospecific one, involving cleavage of the more substituted ring carbon-nitrogen bond. An X-ray structure determination of one of the imidazolidinimines, together with spectral and analytical data for the products of all the cycloaddition reactions, provided the basis for the structure assignment.

  DOI：

  10.1021/jo00027a030