[4,4′-bipyridine]-3,3′-dicarbonitrile | 866116-06-5

• 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: [4,4′-bipyridine]-3,3′-dicarbonitrile
• 英文别名: 3,3'-dicyano-4,4'-bipyridine；pydcy；4-(3-Cyanopyridin-4-yl)pyridine-3-carbonitrile；4-(3-cyanopyridin-4-yl)pyridine-3-carbonitrile
• CAS: 866116-06-5
• 化学式: C₁₂H₆N₄
• 分子量: 206.206
• InChiKey: BJJLISKNPXGOQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  73.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  copper(l) cyanide 、 3,3'-dibromo-4,4'-bipyridine 以 N-甲基吡咯烷酮 为溶剂， 以52%的产率得到[4,4′-bipyridine]-3,3′-dicarbonitrile
  参考文献：
  名称：

  Functionalized 4,4′-Bipyridines: Synthesis and 2D Organization on Highly Oriented Pyrolytic Graphite

  摘要：

  DOI：

  10.1021/acs.joc.0c02708

文献信息

• In situ hydrothermal synthesis of two novel Cd(II) coordination compounds
  作者：Guo-Jie Yin、Bao-Ming Ji、Chen-Xia Du

  DOI：10.1016/j.inoche.2011.09.029

  日期：2012.1

  Hydrothermal in-situ reactions of 4,4'-bis(3,3'-dicyano)pyridine (pydcy) with Cd(NO3)(2)center dot 6H(2)O under the similar reaction condition but different solvent media result in two new compounds [C48H32Cd2N8O18](1) and [C17H13CdN3O5](2). Compound 1 features a new dimeric carboxylate bridged structure, while compound 2 gives a 3D framework with large hexagon channels embodied with water molecules. Topology analysis of 2 defines a type of 8(3)} etb topology. TGA and XRPD analysis indicated that the guest water molecules in 2 can be removed to result in a nanoporous network. Both compounds exhibit intense fluorescence at room temperature, which may originate from the ligand-to-metal charge transfer (LMCT) state. 2011 Elsevier By. All rights reserved.
• Functionalized 4,4′-Bipyridines: Synthesis and 2D Organization on Highly Oriented Pyrolytic Graphite
  作者：Jimmy Richard、Jean Joseph、Can Wang、Artur Ciesielski、Jean Weiss、Paolo Samorì、Victor Mamane、Jennifer A. Wytko

  DOI：10.1021/acs.joc.0c02708

  日期：2021.2.19