| 235438-18-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 235438-18-3
• 化学式: C₂₃H₂₈O₆
• 分子量: 400.472
• InChiKey: HZSBSMMNBSLRRH-BQPPZXSKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.07
• 重原子数：
  29.0
• 可旋转键数：
  0.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  55.38
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  C₃₀H₂₈F₆O₁₁ 、 以40%的产率得到
  参考文献：
  名称：

  Synthesis of Functionalized Cavity Structures via 1,3-Dipolar Cycloaddition of Angle-Shaped Alkenes to Curved Norbornene-Framed Dipoles

  摘要：

  A new approach to the synthesis of cavity molecules is described in which the 1,3 dipolar ACE coupling method is used to join curved frame spacer molecules with obtuse-angled alkenes, The curved frame spacers are comprised of fused norbornenes in which each alternative bridge has the 7-methylene replaced by oxygen. Molecular modeling (AM1) has been used to evaluate the geometry of a selection of bis-crown ether systems, the largest of which has nine norbornane units in the frame, a separation of 20.7 Angstrom and the walls of the cavity having an interplanar angle of 36 degrees.

  DOI：

  10.1021/ol990538d
• 作为产物：
  描述：

  环戊二烯 、 5,8,11,14,17,24-Hexaoxatetracyclo[19.2.1.02,20.04,18]tetracosa-2,4(18),19,22-tetraene 以60%的产率得到
  参考文献：
  名称：

  Synthesis of Functionalized Cavity Structures via 1,3-Dipolar Cycloaddition of Angle-Shaped Alkenes to Curved Norbornene-Framed Dipoles

  摘要：

  A new approach to the synthesis of cavity molecules is described in which the 1,3 dipolar ACE coupling method is used to join curved frame spacer molecules with obtuse-angled alkenes, The curved frame spacers are comprised of fused norbornenes in which each alternative bridge has the 7-methylene replaced by oxygen. Molecular modeling (AM1) has been used to evaluate the geometry of a selection of bis-crown ether systems, the largest of which has nine norbornane units in the frame, a separation of 20.7 Angstrom and the walls of the cavity having an interplanar angle of 36 degrees.

  DOI：

  10.1021/ol990538d