2-Phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-3-ylpyridin-2-yl)pyrimidine | 425368-14-5

• 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-Phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-3-ylpyridin-2-yl)pyrimidine
• 英文别名: 2-phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-3-ylpyridin-2-yl)pyrimidine
• CAS: 425368-14-5
• 化学式: C₄₀H₂₆N₈
• 分子量: 618.7
• InChiKey: FDWJRUIMOFRPJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  48
• 可旋转键数：
  7
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-pyridin-2-yl-3-pyridin-3-yl-propenone 、 在 ammonium acetate 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以70%的产率得到2-Phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-3-ylpyridin-2-yl)pyrimidine
  参考文献：
  名称：

  Supramolecular Assemblies of a Bis(terpyridine) Ligand and of its [2×2] Grid-type ZnII and CoII Complexes on Highly Ordered Pyrolytic Graphite

  摘要：

  The synthesis and characterisation of bis(terpyridine)-derived ligands which are capable of forming [2 x 2] grid-like complexes is presented. Additional pyridine substituents on these ligands do not interfere with the complexation process. Adsorbing one of the pure ligands on highly ordered pyrolytic graphite (HOPG) shows a highly ordered structure stabilised by additional weak intermolecular C-H... N hydrogen bonds partially through the extra-pyridines as could be shown by scanning tunneling microscopy (STM) investigations. Similar adsorption experiments with one of the corresponding [2 x 2] Co-11 grid- type complexes on graphite, led also to a well-organised structure with interdigitation of the extra-pyridine moieties.

  DOI：

  10.1002/1521-3765(20020215)8:4<951::aid-chem951>3.0.co;2-9