N,N′-[(2,3,5,6-tetrafluoro-1,4-phenylene)bis(methylene)]bis(pyridine-4-carboxamide) | 928778-72-7

• 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: N,N′-[(2,3,5,6-tetrafluoro-1,4-phenylene)bis(methylene)]bis(pyridine-4-carboxamide)
• 英文别名: N,N'-[(2,3,5,6-tetrafluoro-1,4-phenylene)bis(methylene)]bis(pyridine-4-carboxamide)；H₂tfpbbp；H2tfpbbp；N,N'-[(2,3,5,6-Tetrafluoro-1,4-phenylene)dimethylene]bis(pyridine-4-carboxamide)；N-[[2,3,5,6-tetrafluoro-4-[(pyridine-4-carbonylamino)methyl]phenyl]methyl]pyridine-4-carboxamide
• CAS: 928778-72-7
• 化学式: C₂₀H₁₄F₄N₄O₂
• 分子量: 418.35
• InChiKey: YFQYITPGINLKDN-UHFFFAOYSA-N

物化性质

• 沸点：
  680.6±55.0 °C(Predicted)
• 密度：
  1.418±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  84
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N,N′-[(2,3,5,6-tetrafluoro-1,4-phenylene)bis(methylene)]bis(pyridine-4-carboxamide) 、 zinc(II) acetate dihydrate 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 以55%的产率得到[Zn(N,N'-[(2,3,5,6-tetrafluoro-1,4-phenylene)bis(methylene)]bis(pyridine-4-carboxamide))(Ac)2]n
  参考文献：
  名称：

  基于氟化双吡啶甲酰胺衍生物配体的自组装多孔Zn(II)金属-有机骨架：合成、结构和性能

  摘要：

  摘要 通过 N, N'-[(2,3,5,6-四氟-1,4-亚苯基)bis 反应制备了锌金属-有机骨架 [Zn(tfpbbp)(Ac)2]n (1) (亚甲基)]双(吡啶-4-甲酰胺) (tfpbbp) 与 Zn(Ac)2 · 2H2O 并通过单晶 X 射线衍射和 TGA 分析表征。单晶 X 射线衍射分析表明，固态 (1) 是 1-D 之字形链，通过氢键相互作用进一步自组装成 3-D 超分子多孔结构。聚合物(1)在室温下表现出光致发光特性。

  DOI：

  10.1016/j.inoche.2006.12.020

文献信息

• Coordination Assembly of Zn^II/Cd^II Terephthalate with Bis-Pyridinecarboxamide Tectons: Establishing Net Entanglements from [3 + 3] Interpenetration to High-Connected Self-Penetration
  作者：Zhi-Hui Zhang、Sheng-Chun Chen、Ming-Yang He、Qun Chen、Miao Du

  DOI：10.1021/cg4000445

  日期：2013.3.6

  Four polymeric d(10) metal terephthalate complexes incorporating bis-pyridinecarboxamide building blocks were prepared to explore the effect of the central metal ion or the fluorine substituent of the ligand on the topology and entanglement of coordination networks. The combination of Zn-II terephthalate with a fluorinated ligand leads to a noninterpenetrated coordination layer with honeycomb (hcb) topology for complex 1. Interestingly, the other three materials display the unusual entangling coordination networks. For 2, the reaction of zinc terephthalate with nonfluorinated ligand affords three-dimensional diamond (dia) architecture of [3 + 3] interpenetration, while the Cd-II terephthalate complexes 3 and 4 with the two types of bis-pyridinecarboxamide tectons show the isostructural self-penetrating framework with unique 8-connected (4(17).6(11)) topology.
• Conformational isomerism of a flexible fluorinated bis-pyridinecarboxamide ligand in the structural direction of two distinct layered CuII coordination polymers
  作者：Qun Chen、Sheng-Chun Chen、Bo Xiao、Zhi-Hui Zhang、Ming-Yang He、Fang-Hua Yin、Miao Du

  DOI：10.1016/j.inoche.2008.09.005

  日期：2008.11

  Reaction of a flexible pyridinecarboxamide ligand N,N'-[(2,3,5,6-tetrafluoro-1,4-phenylene) bis(methylene)]bis(pyridine-4-carboxamide) (H(2)tfpbbp) with Cu-II chloride or perchlortate affords two coordination polymers [Cu(H(2)tfpbbp)(tfpbbp)(H2O)] center dot 2DMF center dot 4H(2)O}(n) (1) and [Cu(H(2)tfpbbp)(2)(ClO4)(2)] center dot 3H(2)O}(n) (2). Both complexes have 2-D (4,4) layered networks extended by the exo-bidentate bridging ligands, which however consist of distinct [Cu-ligand](4) meshes owing to the conformational difference of ligands. Their spectroscopic, thermal, and fluorescence properties have also been investigated. (C) 2008 Elsevier B.V. All rights reserved.