| 1377579-48-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1377579-48-0
• 化学式: C₅₂H₃₈N₄O₃Zn
• 分子量: 832.289
• InChiKey: IYEFYUDUFOZTHG-IXEPPQJQSA-N

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：

  甲醇 、 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Different hydrogen-bonding patterns in two [Zn(ENTPP)] complexes with water or methanol as ligands

  摘要：

  We have synthesized zinc complexes of H2ENTPP (5-(8-ethoxycarbonyl-1-naphthyl)-10,15,20-triphenyl porphyrin) as a model to study hydrogen-bonding interactions. When water or methanol is a ligand, crystals of [Zn(ENTPP)(CH3OH)] or [Zn(ENTPP)(H2O)]center dot C6H5CH3 were obtained. In both structures, the ligand has hydrogen-bonding interactions, but in different patterns. In [Zn(ENTPP)(CH3OH)], the methanol oxygen and carboxylate oxygen in the naphthyl group form an intermolecular hydrogen bond. In [Zn(ENTPP)(H2O)]center dot C6H5CH3, there are two independent molecules A and B. In molecule B, there is an intramolecular hydrogen bond between the water oxygen and the carboxylate oxygen, while in molecule A, besides the intramolecular hydrogen bond, there is an intermolecular hydrogen bond between the water oxygen and the carboxylate oxygen. H-1 NMR spectra suggest the binding of methanol or water to zinc are equilibrium processes in solution. Equilibrium constant has been determined by UV-Vis measurements, and it suggests the binding affinity of zinc to methanol has been moderately increased.

  DOI：

  10.1080/00958972.2012.686035