Dimethyl 5,5'-dipentanoate | 71898-65-2

• 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: Dimethyl 5,5'-dipentanoate
• 英文别名: 1,10-Bis<4-(4-methoxycarbonylbutyl)phenyl>decan；Methyl 5-[4-[10-[4-(5-methoxy-5-oxopentyl)phenyl]decyl]phenyl]pentanoate
• CAS: 71898-65-2
• 化学式: C₃₄H₅₀O₄
• 分子量: 522.769
• InChiKey: QMMRSGJCIOSPME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  38
• 可旋转键数：
  23
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 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：

  Dimethyl 5,5'-dipentanoate 在 盐酸 、 sodium 、 mercury dichloride 、 锌 作用下， 以 溶剂黄146 、 xylene 为溶剂， 反应 78.0h， 生成 Tricyclo[24.2.2.2^12,15]dotriaconta-12,14,26,28,29,31-hexaene
  参考文献：
  名称：

  Conformational study of the higher [n.n]paracylophanes: evaluation as potential hosts for molecular halogens and benzenes

  摘要：

  A fundamental study of the conformations of [7.7]-, [8.8]-, [9.9]-, [11.11]- and octamethyl[8.8]-paracyclophanes in the solid state shows that the [odd,odd] members of the series possess parallel, symmetrically disposed benzene rings. A new genre of inclusion phenomenon based on donor-halogen EDA interactions is also defined and the potential of cyclophanes to act as hosts both in this capacity and to benzenes is discussed.

  DOI：

  10.1039/p19960001141
• 作为产物：
  描述：

  癸二酰氯 在 氢氧化钾 、 三氯化铝 、 一水合肼 作用下， 以 甲醇 、 二硫化碳 、 乙醚 、 二乙二醇 为溶剂， 反应 19.0h， 生成 Dimethyl 5,5'-dipentanoate
  参考文献：
  名称：

  Conformational study of the higher [n.n]paracylophanes: evaluation as potential hosts for molecular halogens and benzenes

  摘要：

  A fundamental study of the conformations of [7.7]-, [8.8]-, [9.9]-, [11.11]- and octamethyl[8.8]-paracyclophanes in the solid state shows that the [odd,odd] members of the series possess parallel, symmetrically disposed benzene rings. A new genre of inclusion phenomenon based on donor-halogen EDA interactions is also defined and the potential of cyclophanes to act as hosts both in this capacity and to benzenes is discussed.

  DOI：

  10.1039/p19960001141

文献信息

• Conformational study of the higher [n.n]paracylophanes: evaluation as potential hosts for molecular halogens and benzenes
  作者：Mark Mascal、Jean-Luc Kerdelhué、Andrei S. Batsanov、Michael J. Begley

  DOI：10.1039/p19960001141

  日期：——

  A fundamental study of the conformations of [7.7]-, [8.8]-, [9.9]-, [11.11]- and octamethyl[8.8]-paracyclophanes in the solid state shows that the [odd,odd] members of the series possess parallel, symmetrically disposed benzene rings. A new genre of inclusion phenomenon based on donor-halogen EDA interactions is also defined and the potential of cyclophanes to act as hosts both in this capacity and to benzenes is discussed.