1,4-di(cyclohexylethynyl)-tetrafluorobenzene | 1104774-27-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,4-di(cyclohexylethynyl)-tetrafluorobenzene
• 英文别名: 1,4-Bis(2-cyclohexylethynyl)-2,3,5,6-tetrafluorobenzene；1,4-bis(2-cyclohexylethynyl)-2,3,5,6-tetrafluorobenzene
• CAS: 1104774-27-7
• 化学式: C₂₂H₂₂F₄
• 分子量: 362.41
• InChiKey: PAVHMGZSIXQGKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  环己基乙炔 、 1,4-二碘四氟苯 在 copper(l) iodide 、 trans-bis(triphenylphosphine)palladium dichloride 、 二异丙胺 作用下， 反应 2.0h， 以85%的产率得到1,4-di(cyclohexylethynyl)-tetrafluorobenzene
  参考文献：
  名称：

  Pseudo-Capsule Assemblies Characterized by ¹⁹F NMR Techniques

  摘要：

  The formation of capsule-like dynamic assemblies which do not rely on attractions between host subunits was achieved via specific interactions with fluorinated guests. Characterization of these three component assemblies was accomplished by applications of F-19 NMR spectroscopy.

  DOI：

  10.1021/ja809224p

文献信息

• Pseudo-Capsule Assemblies Characterized by ¹⁹F NMR Techniques
  作者：Agustí Lledó、Per Restorp、Julius Rebek

  DOI：10.1021/ja809224p

  日期：2009.2.25

  The formation of capsule-like dynamic assemblies which do not rely on attractions between host subunits was achieved via specific interactions with fluorinated guests. Characterization of these three component assemblies was accomplished by applications of F-19 NMR spectroscopy.