Diethyl benzyl(cyclohexylmethyl)propanedioate | 136403-35-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Diethyl benzyl(cyclohexylmethyl)propanedioate
• 英文别名: diethyl 2-benzyl-2-(cyclohexylmethyl)propanedioate
• CAS: 136403-35-5
• 化学式: C₂₁H₃₀O₄
• 分子量: 346.467
• InChiKey: BNYWINITQLNXSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Diethyl benzyl(cyclohexylmethyl)propanedioate 在 calcium sulfate 、 氢氧化钾 、 氯化亚砜 作用下， 以 乙醇 、 苯 为溶剂， 反应 5.0h， 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：

  苄基丙二酸二乙酯 、 溴甲基环己烷 在 sodium hydride 作用下， 生成 Diethyl benzyl(cyclohexylmethyl)propanedioate
  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