2,2-bis(3-phenylpropyl)-N,N'-di(quinolin-8-yl)propanediamide | 145600-22-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2,2-bis(3-phenylpropyl)-N,N'-di(quinolin-8-yl)propanediamide
• CAS: 145600-22-2
• 化学式: C₃₉H₃₆N₄O₂
• 分子量: 592.74
• InChiKey: RXXHOOWQRIWLSW-UHFFFAOYSA-N

物化性质

• 沸点：
  889.8±65.0 °C(Predicted)
• 密度：
  1.247±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.39
• 重原子数：
  45.0
• 可旋转键数：
  12.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  83.98
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  nickel(II) acetate tetrahydrate 、 2,2-bis(3-phenylpropyl)-N,N'-di(quinolin-8-yl)propanediamide 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Role of substituents in copper(II) extraction with N,N′-bis(8-quinolyl)malonamides

  摘要：

  It has been found that substituents on N,N'-bis(8-quinolyl)malonamide play an important role in copper(II) extraction: among the substituents studied, benzyl groups dramatically increased extractability of the malonamide complex. The role of substituents is discussed on the basis of the results of titration and H-1 NMR measurements of copper(II) or nickel(II) complexes as well as copper(II)-extraction experiments. Intramolecular interactions between pi electrons of the benzyl group and the metal centre of the complex are proposed to occur.

  DOI：

  10.1039/dt9920002679
• 作为产物：
  描述：

  2,2-bis(3-phenylpropyl) malonic acid 在 calcium sulfate 、 氯化亚砜 作用下， 以 苯 为溶剂， 反应 5.0h， 生成 2,2-bis(3-phenylpropyl)-N,N'-di(quinolin-8-yl)propanediamide
  参考文献：
  名称：

  Role of substituents in copper(II) extraction with N,N′-bis(8-quinolyl)malonamides

  摘要：

  It has been found that substituents on N,N'-bis(8-quinolyl)malonamide play an important role in copper(II) extraction: among the substituents studied, benzyl groups dramatically increased extractability of the malonamide complex. The role of substituents is discussed on the basis of the results of titration and H-1 NMR measurements of copper(II) or nickel(II) complexes as well as copper(II)-extraction experiments. Intramolecular interactions between pi electrons of the benzyl group and the metal centre of the complex are proposed to occur.

  DOI：

  10.1039/dt9920002679