[Cu(2,4-di-tert-butyl-6-(2,6-diisopropyliminomethyl)phenol | 1108208-70-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Cu(2,4-di-tert-butyl-6-(2,6-diisopropyliminomethyl)phenol
• CAS: 1108208-70-3；1011833-90-1
• 化学式: C₅₄H₇₆CuN₂O₂
• 分子量: 848.756
• InChiKey: DITCFWWZHFLQTK-RNBWHBPMSA-L

计算性质

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

• 作为产物：
  描述：

  copper(II) choride dihydrate 、 2,4-di-tert-butyl-6-(2,6-diisopropylphenyliminomethyl)phenol 在 (C₂H₅)3N 作用下， 以 甲醇 为溶剂， 以63%的产率得到[Cu(2,4-di-tert-butyl-6-(2,6-diisopropyliminomethyl)phenol
  参考文献：
  名称：

  Synthesis, structures, spectral and electrochemical properties of copper(II) complexes of sterically hindered Schiff base ligands

  摘要：

  The Schiff base ligands 2-(2,6-diisopropylphenyliminomethyl)phenol H(L1), 5-diethylamino-2-(2, 6-diisopropylphenyliminomethyl)phenol H(L2), 2,4-di-tert-butyl-6-(2,6-diisopropylphenyliminomethyl) phenol H(L3), 3-(2,6-diisopropylphenyliminomethyl)naphthalen-2-ol H(L4) and 4-(2,6-diisopropylphenyliminomethyl)-5- hydroxymethyl-2-methylpyridin-3-ol H(L5) have been synthesized by the condensation, respectively, of salicylaldehyde, 4-(diethylamino)salicylaldehyde, 3,5-di-tert-butylsalicyl-aldehyde, 2-hydroxy-1-napthaldehyde and pyridoxal with 2,6-diisopropylaniline. The copper(II) bisligand complexes [Cu(L1)(2)] 1, [Cu(L2)(2)] 2, [Cu(L3)(2)] 3, [Cu(L4)(2)] 4 and [Cu(L5)(2)] center dot CH3OH 5 of these ligands have been isolated and characterized. The X-ray crystal structures of two of the complexes [Cu(L1)(2)] 1 and [Cu(L5)(2)] center dot CH3OH 5 have been successfully determined, and the centrosymmetric complexes possess a CuN2O2 chromophore with square planar coordination geometry. The frozen solution EPR spectra of the complexes reveal a square-based CuN2O2 chromophore, and the values of g(parallel to) and g (parallel to)/A(parallel to) index reveal enhanced electron delocalization by incorporating the strongly electron-releasing -NEt2 group (2) and fusing a benzene ring on sal-ring (4). The Cu(II)/Cu(I) redox potentials of the Cu(II) complexes reveal that the incorporation of electron-releasing -NEt2 group and fusion of a benzene ring lead to enhanced stabilization of Cu(II) oxidation state supporting the EPR spectral results. The hydrogen bonding interactions between the two molecules present in the unit cell of 5a generate an interesting two-dimensional hydrogen-bonded network topology. (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.03.083