(E)-2-<(4-chlorobenzoyl)-methylene-imidazolidin-1-yl>ethyl 4-chlorobenzoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (E)-2-<(4-chlorobenzoyl)-methylene-imidazolidin-1-yl>ethyl 4-chlorobenzoate
• 英文别名: 2-[(2E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]imidazolidin-1-yl]ethyl 4-chlorobenzoate
• 化学式: C₂₀H₁₈Cl₂N₂O₃
• 分子量: 405.281
• InChiKey: AIVRJDKUZKIHRR-CPNJWEJPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (E)-2-<(4-chlorobenzoyl)-methylene-imidazolidin-1-yl>ethyl 4-chlorobenzoate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以82%的产率得到(E)-2-<(4-chlorobenzoyl)methylene>-1-(2-hydroxyethyl)imidazolidine
  参考文献：
  名称：

  Synthesis of Heterocyclic Ketene Aminals with a β-Hydroxyethyl Group on the Nitrogen Atom

  摘要：

  The heterocyclic ketene aminals 4 with a beta-hydroxyethyl group on the nitrogen atom are synthesized by the reaction of the corresponding ketene mercaptals 3 with 2-(2-aminoethylamino)ethanol. In the case of 3 with one aroyl substituent, besides the ketene aminals 4, the benzoate of ketene aminals 5 are also isolated.

  DOI：

  10.1080/00397919608003637
• 作为产物：
  描述：

  1-(4-氯苯基)-3,3-双甲基磺酰基丙酮 、 羟乙基乙二胺 以 甲苯 为溶剂， 反应 6.0h， 以34%的产率得到(E)-2-<(4-chlorobenzoyl)-methylene-imidazolidin-1-yl>ethyl 4-chlorobenzoate
  参考文献：
  名称：

  Synthesis of Heterocyclic Ketene Aminals with a β-Hydroxyethyl Group on the Nitrogen Atom

  摘要：

  The heterocyclic ketene aminals 4 with a beta-hydroxyethyl group on the nitrogen atom are synthesized by the reaction of the corresponding ketene mercaptals 3 with 2-(2-aminoethylamino)ethanol. In the case of 3 with one aroyl substituent, besides the ketene aminals 4, the benzoate of ketene aminals 5 are also isolated.

  DOI：

  10.1080/00397919608003637

文献信息

• Synthesis of Heterocyclic Ketene Aminals with a β-Hydroxyethyl Group on the Nitrogen Atom
  作者：Li-Ben Wang、Zhi-Tang Huang

  DOI：10.1080/00397919608003637

  日期：1996.2

  The heterocyclic ketene aminals 4 with a beta-hydroxyethyl group on the nitrogen atom are synthesized by the reaction of the corresponding ketene mercaptals 3 with 2-(2-aminoethylamino)ethanol. In the case of 3 with one aroyl substituent, besides the ketene aminals 4, the benzoate of ketene aminals 5 are also isolated.