2,3,5,6-tetrafluoro-4-[1-(2,3,5,6-tetrafluoro-4-pyridyl)-1,4-dihydro-4-pyridinylidenamino]pyridine | 1301218-66-5

• 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: 2,3,5,6-tetrafluoro-4-[1-(2,3,5,6-tetrafluoro-4-pyridyl)-1,4-dihydro-4-pyridinylidenamino]pyridine
• 英文别名: 2,3,5,6-tetrafluoro-N-(2',3',5',6'-tetrafluoro-4h-1,4'-bipyridin-4-ylidene)pyridin-4-amine；N,1-bis(2,3,5,6-tetrafluoropyridin-4-yl)pyridin-4-imine
• CAS: 1301218-66-5
• 化学式: C₁₅H₄F₈N₄
• 分子量: 392.211
• InChiKey: CFMXDAJFUKHTJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.4
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  4-氨基吡啶 、 五氟吡啶 在 sodium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以85%的产率得到2,3,5,6-tetrafluoro-4-[1-(2,3,5,6-tetrafluoro-4-pyridyl)-1,4-dihydro-4-pyridinylidenamino]pyridine
  参考文献：
  名称：

  Synthesis and structural study of bis-perfluoropyridyl bridged by 1,4 and 1,2 dihydropyridine

  摘要：

  Bis-perfluoropyridyl bridged by 1,4 and 1,2 dihydropyridine compounds was synthesized by reaction of 2 and 4 aminopridine derivatives with pentafluoropyridine. The structures were determined by X-ray crystallography. Compound 3a comprises two crystallographically independent molecules in the asymmetric unit in which one of them shows 1-D infinite chains along [0 1 0] direction due to the intermolecular C-H center dot center dot center dot N hydrogen bonds. in compound 5 intermolecular C-H center dot center dot center dot F and C-H center dot center dot center dot N hydrogen bonds link neighbouring molecules to each other. In addition, in both structures a series of C-F center dot center dot center dot pi interactions stabilize the crystal packing. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2011.02.007