[Cu(SO4)(1,1'-(1,5-pentanediyl)bis-1H-benzimidazole)] | 937384-05-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: [Cu(SO4)(1,1'-(1,5-pentanediyl)bis-1H-benzimidazole)]
• CAS: 937384-05-9
• 化学式: C₁₉H₂₀N₄*Cu*O₄S
• 分子量: 464.004
• InChiKey: MJVDVQSODPZOOM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.92
• 重原子数：
  29.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  115.9
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  copper(II) sulfate 、 1,1'-(1,5-pentamethylene)bis-1H-benzimidazole 以 水 为溶剂， 以55%的产率得到[Cu(SO4)(1,1'-(1,5-pentanediyl)bis-1H-benzimidazole)]
  参考文献：
  名称：

  Catalytic applications of CuII-containing MOFs based on N-heterocyclic ligand in the oxidative coupling of 2,6-dimethylphenol

  摘要：

  Two Cu-II complexes bearing a N-heterocyclic ligand, namely [Cu(SO4)(pbbm)](n) (1) and {[Cu(Ac)(2)(pbbm)] center dot CH3OH)(n) (2) (pbbm = 1, 1'-(1,5-pentanediyl)bis-1H-benzimidazole) have been synthesized with the aim of exploiting new and potent catalysts. Single crystal X-ray diffraction shows that new polymeric complex 1 features 1-D double-chain framework. The catalytic studies on 1 and 2 indicate that they are efficient homogeneous catalysts for the oxidative coupling of 2,6-dimethylphenol (DMP) to poly( 1,4-phenylene ether) (PPE) and diphenoquinone (DPQ) with H2O2, as oxidant and NaOMe as co-catalyst at room temperature. Optimal reaction conditions are obtained by examining the effects of solvent, the reaction time, temperature as well as the amounts of co-catalyst, catalyst and oxidant. Under the optimal conditions, the selectivity to PPE is almost up to 90% for both complexes, and the conversion of DMP is 85% for 1 and 90% for 2, comparable to those observed for highly active catalyst systems in the literature. Further comparison of their catalytic performances with those of the corresponding copper salt together with organic ligand, copper salt alone and free ligand reveals that the coordination of ligand to Cu-II ion plays a key role in generating the superior reactivities of complexes. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.01.010