N,N'-bis(3-formyl-5-n-butyl-salicylidene)ethylenediimine | 851009-92-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N,N'-bis(3-formyl-5-n-butyl-salicylidene)ethylenediimine
• CAS: 851009-92-2
• 化学式: C₂₆H₃₂N₂O₄
• 分子量: 436.551
• InChiKey: ARNXCIOQGFLXOT-UHFFFAOYSA-N

物化性质

• 熔点：
  125-127 °C
• 沸点：
  586.2±50.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.95
• 重原子数：
  32.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  99.32
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 N,N'-bis(3-formyl-5-n-butyl-salicylidene)ethylenediimine 、 copper(II) acetate monohydrate 、 1,3-丙二胺 以 甲醇 为溶剂， 以52%的产率得到
  参考文献：
  名称：

  DFT theoretical, synthesis, X-ray diffraction and IR studies on new dinuclear copper macrocyclic complexes

  摘要：

  Two symmetric dinuclear copper (II) macrocyclic complexes ([Cu2L](ClO4)(2) and [Cu2L'](ClO4)(2)) were unexpectedly obtained by the cyclocondensation between N,N'-bis(3-formyl-5-n-butylsalicylidene)ethylenediimine and 1,3-diaminopropane in the presence of copper (II) perchlorate and characterized by some physical methods. Both complexes were determined by X-ray diffraction techniques. DFT theoretical calculation was used to discuss the structure and to assign the IR spectra of the cation of the Complex ([Cu2L](ClO4)(2), the complete vibration spectral analysis was performed. A good agreement is obtained between DFT theoretical calculation results and the experimental data for the complex ([Cu2L](ClO4)(2). (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2005.02.026

文献信息

• Synthesis, crystal structure, electrochemical, EPR and magnetic properties of dinuclear complexes with an Okawa-style unsymmetrical diphenolato Schiff base macrocyclic ligand
  作者：H. Zhou、Z.-H. Peng、Z.-Q. Pan、Y. Song、Q.-M. Huang、X.-L. Hu

  DOI：10.1016/j.poly.2007.03.016

  日期：2007.8

  dimetallic complexes of the unsymmetrical macrocycle (L)2−, [M1M2L]2+ (M1M2 = NiNi, CuZn, CuCd), have been synthesized by cyclocondensation between N,N′-bis(3-formyl-4-n-butylsalicylidene)ethylenediimine and 1,3-diaminopropane in the presence of M 1 2 + and M 2 2 + .The crystal structure of the complex [Ni2L4(H2O)2](ClO4)2 · 0.5CH3OH was determined by X-ray diffraction techniques.The asymmetric unit contains

  摘要通过N，N′-双（3-甲酰基-4-n-）之间的环缩合反应，合成了三个不对称大环（L）2-（M1M2L] 2+（M1M2 = NiNi，CuZn，CuCd）的双金属配合物。 M 1 2 +和M 2 2 +存在下，丁基水杨基亚乙基）亚乙基二亚胺和1,3-二氨基丙烷。通过X射线衍射测定[Ni2L4（H2O）2]（ClO4）2·0.5CH3OH的晶体结构。不对称单元包含两个完全相似的完整的大环配合物。由两种酚盐桥接的镍-镍间隔为2.977 A和2.982A。在每个分子中，位于分子中的Ni（II）乙烯链连接位点具有正方形的平面几何形状，而位于丙烯链连接位点的Ni（II）具有八面体环境。ES-MS和循环伏安图的结果证实了Cu–Zn， Ni–Ni与大环配体L形成稳定的络合物，但是由Cu–Cd组成的络合物不稳定，并且在甲醇溶液中容易从络合物中丢失Cd2 +。该络合物的循环伏安图表明，每种络合物都经历了逐步还原过程，例如[Ni2L]