dichlorido(N,N-bis(2-pyridylmethyl)benzeneamine)copper(II) | 498534-44-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: dichlorido(N,N-bis(2-pyridylmethyl)benzeneamine)copper(II)
• 英文别名: [copper(II) (bis(2-pyridylmethyl)aniline) (chloride)2]；CuCl2(N,N-bis(2-pyridylmethyl)aniline)；[CuCl2(bis(2-pyridylmethyl)aniline)]；[CuCl2(phbpa)]；N,N-bis(pyridin-2-ylmethyl)aniline;dichlorocopper
• CAS: 498534-44-4
• 化学式: C₁₈H₁₇Cl₂CuN₃
• 分子量: 409.805
• InChiKey: YPUHBGLKAZLVCT-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 dichlorido(N,N-bis(2-pyridylmethyl)benzeneamine)copper(II) 、 水 以 乙腈 为溶剂， 以95.2%的产率得到[CuCl(N,N-bis(2-pyridylmethyl)aniline)]PF6*H2O
  参考文献：
  名称：

  [Cu(phdpa)Cl]+ (phdpa=bis(2-pyridylmethyl)aniline): a moiety of unusual stability in some 1:1 Cu(II) complexes of phdpa. Synthesis and X-ray crystal structures of [Cu(phdpa)Cl2] and [Cu2(phdpa)2Cl3]PF6·0.5MeOH

  摘要：

  1:1 copper(II) complexes of bis(dipyridylmethyl)aniline (phdpa) of various kinds, with chloride and PF6- as anions, were synthesized and characterized by elemental analysis, IR spectroscopy and X-ray structure crystallography. The crystal structures of [Cu(phdpa)Cl-2] (I) and [Cu-2(phdpa)(2)Cl-3]PF6.0.5MeOH (II) showed that the metal atoms are five-coordinated and that the structures are also stabilized by a triple intramolecular hydrogen-bond system. The resulting unusual stability of the [Cu(phdpa)Cll' moiety influences the exchange properties with PF6- of compound I, which gave complexes where the cationic group is maintained also under drastic reaction conditions. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01063-0
• 作为产物：
  描述：

  N,N-bis(pyridin-2-ylmethyl)aniline 、 copper(II) choride dihydrate 以 甲醇 为溶剂， 以76%的产率得到dichlorido(N,N-bis(2-pyridylmethyl)benzeneamine)copper(II)
  参考文献：
  名称：

  邻，间和对苯二胺和苯胺的双（2-吡啶基甲基）衍生物的铜（II）配合物的合成，结构和性质。

  摘要：

  配体1，n-双[双（2-吡啶基甲基）氨基]苯与n = 2-4（1，n-tpbd）的铜（II）配合物及其单核衍生物双（2-吡啶基甲基）苯胺（phbpa）合成并进行结构表征。对[CuCl2（phbpa）]，[Cu2Cl4（1,3-tpbd）]，[（Cu2Cl2（ClO4）（1,3-tpbd））Cl（Cu2Cl2（OH2）（1,3）进行磁测量和DFT计算-tpbd））]（ClO4）2和[Cu2（OH2）2（S2O6）（1,3-tpbd）] S2O6，成功地证明了交换极化机理。

  DOI：

  10.1021/ic800244g

文献信息

• Isomerism in copper(II) chloride complexes of bis(2-pyridylmethyl)amine and N-substituted derivatives: Synthesis and X-ray structural characterisation
  作者：Anne Nielsen、Sune Veltzé、Andrew D. Bond、Christine J. McKenzie

  DOI：10.1016/j.poly.2006.12.005

  日期：2007.5

  Copper(II) chloride complexes of tridentate N-alkylated bis(2-pyridylmethyl)amine ligands (R-bpa) form coordination oligomers with either terminal or bridging chloride. Two structural types are identified by X-ray diffraction: a mono p-chloro bridged species and a di-mu-chloro bridged species, both containing five-coordinate copper(II). In each case, the c parameter indicates only small deviations from regular square-pyramidal coordination geometry. The product structure is dependent on the presence or absence of non-coordinating anions. In the presence of C10(4)(-) or PF6-, cationic dinuclear complexes are formed, driven by the formation of an ionic lattice. In the absence of non-coordinating anions, neutral mononuclear [CuCl2(R-bpa)] complexes are formed. Chloride concentration in methanol solution exerts less influence on the reaction outcome, despite differing chloride stoichiometries in the isolated products. In the presence of the coordinating acetate anion, cationic products are formed in which the terminal chloride ligands are completely or partially substituted by acetate. (C) 2006 Elsevier Ltd. All rights reserved.