1H-2,5-diphenyl-3,4-di(2-pyridyl)pyrrole | 24052-40-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1H-2,5-diphenyl-3,4-di(2-pyridyl)pyrrole
• 英文别名: 2,5-diphenyl-3,4-di-(2-pyridyl)pyrrole；2,2'-(2,5-diphenyl-pyrrole-3,4-diyl)-bis-pyridine；2-(2,5-diphenyl-4-pyridin-2-yl-1H-pyrrol-3-yl)pyridine
• CAS: 24052-40-2
• 化学式: C₂₆H₁₉N₃
• 分子量: 373.457
• InChiKey: NXNPQRXPKOQPKO-UHFFFAOYSA-N

物化性质

• 熔点：
  202-203 °C
• 沸点：
  485.6±45.0 °C(Predicted)
• 密度：
  1.184±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  cobalt(II) chloride hexahydrate 、 1H-2,5-diphenyl-3,4-di(2-pyridyl)pyrrole 以 乙醇 为溶剂， 生成 dichloro[2,2'-(2,5-diphenyl-3,4-pyrrolediyl)dipyridine-N,N']cobalt(II)
  参考文献：
  名称：

  Dichloro(2,5-diphényl-3,4-di-2-pyridyl-1H-pyrrole-N,N')cobalt(II)

  摘要：

  The title complex dichloro[2,2'-(2,5-diphenyl-3,4-pyrrolediyl)dipyridine-N,N']cobalt(II), CoCl2(C26-H19N3)], has been prepared in ethanol solution. The metal centre is coordinated in a distorted tetrahedral configuration to two Cl ions and to the N(13) and N(7) donor atoms of the C26H19N3 ligand (PPP) which acts bidentately. The coordination angles lie between 95.1 (3) and 115.7 (3)-degrees, the smallest being N(13)-Co-N(7). Although each ring of the PPP ligand is almost planar within experimental error, the whole ligand is not, as shown by the value of the dihedral angle [83.5 (4)-degrees] between the two pyridine mean planes P2 and P3.

  DOI：

  10.1107/s0108270193007309
• 作为产物：
  描述：

  2-(pyridin-2-yl)-1-phenyl-1-ethenamine 在 lead(IV) acetate 作用下， 以 乙腈 为溶剂， 反应 0.25h， 以50%的产率得到1H-2,5-diphenyl-3,4-di(2-pyridyl)pyrrole
  参考文献：
  名称：

  Preparation of 1H-2,3,4,5-Tetraarylpyrroles by oxidation of heterocyclic imine-enamines

  摘要：

  Heterocyclic imine-enamines 1 were prepared from metalated methyl substituted heterocycles and aromatic nitriles and then oxidized with lead tetracetate to give various tetraarylpyrroles 2.

  DOI：

  10.1080/00397919608086755