Cu(η1-OH)(H2O)3((N,N'-1,3-bis[(2-hydroxy-4-[2-(2-methoxyethoxy)ethoxy)ethoxy]benzylideneamino]propan-2-ol)ato) | 1017574-84-3

• 英文名称: Cu(η1-OH)(H2O)3((N,N'-1,3-bis[(2-hydroxy-4-[2-(2-methoxyethoxy)ethoxy)ethoxy]benzylideneamino]propan-2-ol)ato)
• CAS: 1017574-84-3
• 化学式: C₃₁H₅₀Cu₂N₂O₁₅
• 分子量: 817.834
• InChiKey: UTXFIUZYWFCRBZ-BRPNSAMVSA-K

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：

  N,N'-1,3-bis[(2-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]ethoxy)benzylideneamino]propan-2-ol*0.5water 、 copper(II) acetate monohydrate 以 甲醇 、 水 为溶剂， 生成 Cu(μ2-OH)(H2O)2((N,N'-1,3-bis[(2-hydroxy-4-[2-(2-methoxyethoxy)ethoxy)ethoxy]benzylideneamino]propan-2-ol)ato) 、 Cu(η1-OH)(H2O)3((N,N'-1,3-bis[(2-hydroxy-4-[2-(2-methoxyethoxy)ethoxy)ethoxy]benzylideneamino]propan-2-ol)ato)
  参考文献：
  名称：

  Effect of Water on the Catalytic Oxidation of Catechols

  摘要：

  A dinuclear copper(II) complex derived from a new water-soluble pentadentate Schiff base backbone ligand has been prepared and characterized in solution and in the solid state. The complex has been found to accelerate the aerobic oxidation of 3,5-di-tert-butylcatechol (DTBC) into 3,5-di-tert-butylquinone (DTBQ) by 5 orders of magnitude, compared to the background reaction in aqueous methanol (K-cat/k(non)= 160 000) at 30 degrees C. The transformation of the model substrate is considerably slower in pure methanol (k(cat)/k(non) = 60 000) under otherwise identical conditions. In-depth investigation of the catalytically active species revealed different structures for the copper(II) complex in methanol and in methanol/water mixtures.

  DOI：

  10.1021/ja078057+