Phenyliminomethyleneamino-acetic acid ethyl ester | 197641-22-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Phenyliminomethyleneamino-acetic acid ethyl ester
• CAS: 197641-22-8
• 化学式: C₁₁H₁₂N₂O₂
• 分子量: 204.228
• InChiKey: AKGKVOAZRJJAIH-UHFFFAOYSA-N

物化性质

• 沸点：
  293.8±32.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  51
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  二环己胺 、 Phenyliminomethyleneamino-acetic acid ethyl ester 以 二氯甲烷 为溶剂， 反应 8.0h， 以45%的产率得到2-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-one
  参考文献：
  名称：

  Application of Carbodiimide in Heterocyclic Synthesis: New Facile Synthesis of 2-Aminoimidazolinone Derivatives

  摘要：

  A new facile synthesis of 2-amino-4H-imidazolin-4-ones 5 by using carbodiimides 3 which were obtained from aza-Wittig reaction of iminophosphoranes 2 with isocyanate is described.

  DOI：

  10.1080/00397919708007088
• 作为产物：
  描述：

  triphenylphosphine imine ethyl acetate 、 异氰酸苯酯 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 Phenyliminomethyleneamino-acetic acid ethyl ester
  参考文献：
  名称：

  Reaction of Functionalized Carbodiimide with α-Amino Ester: A Selective Synthesis of 2,3,5-Trisubstituted Imidazol-4-ones

  摘要：

  3-(Ethoxycarbonylmethylene)-2-(arylimino)-imidazol-4-ones 5 were synthesized selectively by reaction of -amino ester with carbodiimides 4, which were obtained from aza-Wittig reaction of iminophosphoranes 2 with aromatic isocyanates.

  DOI：

  10.1080/00397910802326562

文献信息

• Reaction of Functionalized Carbodiimide with α-Amino Ester: A Selective Synthesis of 2,3,5-Trisubstituted Imidazol-4-ones
  作者：Hong-Xia Li、Yong Sun、Ming-Wu Ding

  DOI：10.1080/00397910802326562

  日期：2008.11.13

  3-(Ethoxycarbonylmethylene)-2-(arylimino)-imidazol-4-ones 5 were synthesized selectively by reaction of -amino ester with carbodiimides 4, which were obtained from aza-Wittig reaction of iminophosphoranes 2 with aromatic isocyanates.
• Application of Carbodiimide in Heterocyclic Synthesis: New Facile Synthesis of 2-Aminoimidazolinone Derivatives
  作者：Ming-Wu Ding、Hai-Yang Tu、Zhao-Jie Liu

  DOI：10.1080/00397919708007088

  日期：1997.10.1

  A new facile synthesis of 2-amino-4H-imidazolin-4-ones 5 by using carbodiimides 3 which were obtained from aza-Wittig reaction of iminophosphoranes 2 with isocyanate is described.