[Cu(2,6-bis[(3,5-dimethyl-1H-pyrazol-1-yl)aminomethyl]pyridine)(dicyanamide)2(H2O)] | 1430594-72-1

• 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: [Cu(2,6-bis[(3,5-dimethyl-1H-pyrazol-1-yl)aminomethyl]pyridine)(dicyanamide)2(H2O)]
• CAS: 1430594-72-1
• 化学式: C₂₁H₂₃CuN₁₁O
• 分子量: 509.033
• InChiKey: DMBBHZLZWRJPMI-UHFFFAOYSA-N

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：

  copper(II) choride dihydrate 、 sodium dicyanamide 、 2,6-bis(3,5-dimethylpyrazol-1-ylmethyl)pyridine 以 甲醇 、 水 为溶剂， 反应 0.17h， 以47%的产率得到[Cu(2,6-bis[(3,5-dimethyl-1H-pyrazol-1-yl)aminomethyl]pyridine)(dicyanamide)2(H2O)]
  参考文献：
  名称：

  Mononuclear, dinuclear and polymeric 1D thiocyanato- and dicyanamido–copper(II) complexes based on tridentate coligands

  摘要：

  Three mono-nuclear copper(II) complexes: [Cu(mpipy)(NCS)(2)] (1); [Cu(mpiq)(NCS)(2)] (2); [Cu(bdmpzpy) (dca)(2)(H2O)] (4) a dinuclear, [Cu-2(dmenim)(2)(mu(1.3)-NCS)(2)](ClO4)(2) (3) and a linear 1D {[Cu(mpiq)(mu(1.5)-dca)]ClO4}(n) (5) complex were synthesized using a variety of tridentate amine ligands (mpipy = N-methyl-N-(2-pyridylmethyl)piperazine; mpiq = N-methyl-N-(2-quinolylmethyl)-piperazine); bdmpzpy = 2,6-bis[(2,5-dimethyl-1H-pyrazolyl)methyl]pyridine; dmenim = Schiff base condensation of N,N-dimethylethyl-enediamine and imidazole-4(5)-carboxaldehyde). The complexes were characterized by spectroscopic techniques and by single crystal X-ray crystallography. The N-thiocyanato mode of bonding in 1 and 2, the terminal monodentate nitrile-dca bonding in 4, and the bridging modes mu 1,3-SCN in 3 and mu 1,5-dca in 5 as well as the distorted square pyramidal geometries around the central Cu(II) ions in compounds 1-3 and 5, and distorted octahedral in 4 were confirmed. The magnetic susceptibilities of compounds 3 and 5, investigated at variable temperature (2-300 K), revealed their weak antiferromagnetic coupling nature. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.01.033