Methyl 6-[4-[11-[4-(5-methoxy-5-oxopentanoyl)phenyl]undecyl]phenyl]-6-oxohexanoate | 179026-77-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methyl 6-[4-[11-[4-(5-methoxy-5-oxopentanoyl)phenyl]undecyl]phenyl]-6-oxohexanoate
• CAS: 179026-77-8
• 化学式: C₃₆H₅₀O₆
• 分子量: 578.789
• InChiKey: QQFXLNFKMFUIRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  42
• 可旋转键数：
  25
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  86.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Methyl 6-[4-[11-[4-(5-methoxy-5-oxopentanoyl)phenyl]undecyl]phenyl]-6-oxohexanoate 在 氢氧化钾 、 一水合肼 作用下， 以 乙醚 、 二乙二醇 为溶剂， 反应 19.0h， 生成 Methyl 6-[4-[11-[4-(5-methoxy-5-oxopentyl)phenyl]undecyl]phenyl]hexanoate
  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：

  十一烷二酸 在 氢氧化钾 、 三氯化铝 、 氯化亚砜 、 肼 作用下， 以 二硫化碳 、 乙二醇 为溶剂， 反应 22.5h， 生成 Methyl 6-[4-[11-[4-(5-methoxy-5-oxopentanoyl)phenyl]undecyl]phenyl]-6-oxohexanoate
  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