Cu[(2,6-bis(dimethylaminomethyl)pyridine]2CuCl2 | 438187-56-5

• 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(dimethylaminomethyl)pyridine]2CuCl2
• 英文别名: copper(1+);dichlorocopper(1-);1-[6-[(dimethylamino)methyl]pyridin-2-yl]-N,N-dimethylmethanamine
• CAS: 438187-56-5
• 化学式: C₂₂H₃₈CuN₆*Cl₂Cu
• 分子量: 584.582
• InChiKey: JGNRTWHNXWFZNW-UHFFFAOYSA-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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  2,6-bis<(dimethylamino)methyl>pyridine 、 copper(l) chloride 以 苯 为溶剂， 以99%的产率得到Cu[(2,6-bis(dimethylaminomethyl)pyridine]2CuCl2
  参考文献：
  名称：

  Cu(I) and Cu(II) complexes of a pyridine-based pincer ligand

  摘要：

  The pincer ligands 2,6-H3C5N(CH2NR2)(2), L-R, have been studied in their reaction towards CuCl2 and CuCl. For CuCl2, the case R = Et gives square-pyramidal (eta(3)-L-ET)CUCL2 with an apical Cu-Cl distance 0.27 Angstrom longer than the equatorial one. For R = Pr-1, the chloride-loss product (eta(3)-(LPr)-Pr-1)CuCl+ is established as its CuCl42- salt. The mer geometry of the ligand in these two compounds is intolerable for Cu(I), and a ligand-redistribution product from CuCl is (eta(2)-L-Me)(2)Cu+, together with linear CuCl2. Density functional theory (DFT) calculations of monomeric (L-Me)Cu(I)L-9 with L = MeCN, C2H4 or Cl- show a distinct tendency for one or both NMe2 arms to dissociate from Cu(I), while the Cu(II) analogs adopt planar geometry, (0 2002 Published by Elsevier Science B.V.

  DOI：

  10.1016/s0020-1693(01)00825-8