| 1019849-51-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1019849-51-4
• 化学式: C₁₅₂H₁₆₆N₈O₄P₂Pd₂Zn₂
• 分子量: 2574.61
• InChiKey: KMZWAPZFZPWRAZ-ZOYHJGQASA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  [5-(diphenylphosphanyl)-10,15,20-tris(3,5-di-tert-butylphenyl)porphyrinato]zinc(II) 、 palladium diacetate 以 甲苯 为溶剂， 以73%的产率得到
  参考文献：
  名称：

  Regioselective β-Metalation of meso-Phosphanylporphyrins. Structure and Optical Properties of Porphyrin Dimers Linked by Peripherally Fused Phosphametallacycles

  摘要：

  meso-Diphenylphosphanylporphyrins were successfully prepared via Pd-catalyzed C-P cross-coupling reaction of the corresponding meso-iodoporphyrins with diphenylphosphane. The meso-phosphanylporphyrins underwent regioselective metalation at the beta carbon to produce novel classes of porphyrin dimers linked by peripherally fused phosphametallacycles. A Pd-mononucler complex was structurally characterized by X-ray crystallography, which revealed a flat structure of the Pd-linked porphyrin pi systems. Both experimental and theoretical results demonstrate that the orbital interaction between the pyrrolic p pi orbitals and the metal d pi orbital affects optical and electrochemical properties of the metal-linked coplanar porphyrin dimers.

  DOI：

  10.1021/ja710542e