2,6-bis(4-fluoro-phenyl)-4-(4-propoxy-phenyl)pyridine | 882762-43-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2,6-bis(4-fluoro-phenyl)-4-(4-propoxy-phenyl)pyridine
• 英文别名: 2,6-bis(4-fluorophenyl)-4-(4-propoxyphenyl)pyridine
• CAS: 882762-43-8
• 化学式: C₂₆H₂₁F₂NO
• 分子量: 401.456
• InChiKey: BBEZRLRGWMFLLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  palladium diacetate 、 2,6-bis(4-fluoro-phenyl)-4-(4-propoxy-phenyl)pyridine 以 溶剂黄146 为溶剂， 以90%的产率得到[(2,6-bis(4-fluoro-phenyl)-4-(4-propoxy-phenyl)pyridine(-1H))Pd(acetate)]2
  参考文献：
  名称：

  Cyclopalladated acetate dimers: Crystal structures and VT-NMR

  摘要：

  The X-ray structure of two cyclopalladated acetate bridged dimers has been solved, and they are shown to exhibit all open-book type core, analogous to those that have been previously reported. Variable temperature NMR studies oil these molecules demonstrates that this core persists in chloroform solution, resulting in restrictions to the movement of ancillary parts of the molecule. The barrier to rotation of a pendant phenyl ring against this core hits been measured: Delta H-double dagger = 56 kJ mol(-1), and Delta S-double dagger = 0. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.11.066