bis(N-benzyl-3,5-ditert-butylsalicylaldiminato)copper(II) | 1203602-31-6

• 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: bis(N-benzyl-3,5-ditert-butylsalicylaldiminato)copper(II)
• CAS: 1203602-31-6
• 化学式: C₄₄H₅₆CuN₂O₂
• 分子量: 708.487
• InChiKey: CEKALSFLJSDMIK-KTTIQKODSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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

• 作为反应物：
  描述：

  bis-(3,5-di-tert-butylsalicylaldehydato) copper(II) 、 bis(N-benzyl-3,5-ditert-butylsalicylaldiminato)copper(II) 以 甲苯 为溶剂， 以82%的产率得到[(3,5-di-tert-butylsalicylaldehydato)(N-benzyl-3,5-di-tert-butyl-salicylaldiminato)]copper(II)
  参考文献：
  名称：

  A facile synthesis of mixed ligand Cu(II) complexes with salicylaldehyde and salicylaldimine ligands and their X-ray structural characterization

  摘要：

  High yield synthetic routes to the preparation of new mixed ligand Cu(II) complexes (1-7) derived from a sterically hindered salicylaldimine and the corresponding salicylaldehyde have been developed. The complexes could be obtained either forming a salicylaldimine preligand or two optional Cu(II) complex precursors. One-pot synthesis could also be used. The complexes have been fully characterized by means of elemental analysis, UV-Vis and IR spectroscopy. Crystal structures obtained for four [(3,5-di-tert-butylsalicylaldehydato)(N-R-3,5-di-tert-butylsalicylaldiminato)]Cu(II) (where R = phenyl (1), isopropyl (3), benzyl (5) and 2-phenylethyl (6)) complexes show that three of them are cis-isomers and one is a trans-isomer with respect to the phenolic O-atoms. Complexes 1, 5 and 6 form preferably loose dimers while 3 favors to exist in a loose polymeric structure in a crystal. In all these polynuclear forms the geometry around the Cu(II) ions is a distorted octahedron. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.12.009
• 作为产物：
  描述：

  3,5-二叔丁基水杨醛 在 N(C₂H₅)3 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 bis(N-benzyl-3,5-ditert-butylsalicylaldiminato)copper(II)
  参考文献：
  名称：

  Synthesis and X-ray structural characterization of sterically hindered bis(3,5-di-tert-butylsalicylaldiminato)Cu(II) complexes

  摘要：

  Bis(3,5-di-tert-butylsalicylaldiminato)Cu(II) complexes were prepared in high yields from a sterically hindered 3,5-di-tert-butylsalicylaldehyde and a variety of amines using three synthetic approaches. They were all thoroughly characterized by various spectroscopic methods (UV-Vis, IR, EPR and EI-MS). Crystal structures of seven complexes determined by X-ray crystallography show the Cu ion in a N2O2 coordination environment and a tetrahedrally distorted square-planar geometry. The UV-Vis and EPR results indicated that the complexes have the same geometry also in solution. In two solid state structures of the complexes the ligands have obtained an unusual cis-orientation whereas the rest of the complexes are trans-isomers. Computational studies carried out by the density functional theory method verified that in the case of complex with N-alkyl fragment the preferred isomer is trans, while the opposite behavior is observed for the complex with N-phenyl substituent. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.03.006