imidazole-(2,6-pyridinedicarboxylato)copper(II) | 138136-66-0

• 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: imidazole-(2,6-pyridinedicarboxylato)copper(II)
• 英文别名: [Cu(pydc)(imidazole)]_n；[Cu(pydc)(im)]_n；{Cu(pyridine-2,6-dicarboxylate)(imidazole)}
• CAS: 138136-66-0
• 化学式: C₃H₄N₂*C₇H₃NO₄*Cu
• 分子量: 296.729
• InChiKey: WYNYWRJTJJLHTL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.78
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  121.83
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  imidazole-(2,6-pyridinedicarboxylato)copper(II) 生成 copper(II) carbonate
  参考文献：
  名称：

  Syntheses of crystal structures andin vitrocytotoxic activities of new copper(II) complexes of pyridine-2,6-dicarboxylate

  摘要：

  [Cu(pydc)(im)](n) (1), [Cu(pydc)(mim)(3)].2H(2)O (2), [Cu(pydc)(ampy)(H2O)].H2O (3), and [Cu(pydc)(phen)][Cu(Hpydc)(2)] (4) (H(2)pydc=2,6-pyridinedicarboxylic acid or dipicolinic acid, im=imidazole, mim=2-methylimidazole, ampy=2-amino-4-methylpyridine, and phen=1,10-phenanthroline) were synthesized and characterized by elemental analysis, spectroscopic measurements (UV-vis and IR spectra) and single crystal X-ray diffraction. Complexes 1, 2 and 3 were studied by thermogravimetric analysis from ambient temperature to 1100K under nitrogen and thermal stabilities were investigated. The effects of complexes on proliferation of fibrosarcoma cells were investigated using the Quick Cell Proliferation Assay. The cell viability changes depend on the concentrations and type of complexes. According to cell proliferation/viability data, 4 was determined to be the most cytotoxic.

  DOI：

  10.1080/00958972.2015.1086997
• 作为产物：
  描述：

  咪唑 、 吡啶-2,6-二甲酸 、 copper(II) acetate monohydrate 以 水 、 乙醇 为溶剂， 反应 26.0h， 以44%的产率得到imidazole-(2,6-pyridinedicarboxylato)copper(II)
  参考文献：
  名称：

  Syntheses of crystal structures andin vitrocytotoxic activities of new copper(II) complexes of pyridine-2,6-dicarboxylate

  摘要：

  [Cu(pydc)(im)](n) (1), [Cu(pydc)(mim)(3)].2H(2)O (2), [Cu(pydc)(ampy)(H2O)].H2O (3), and [Cu(pydc)(phen)][Cu(Hpydc)(2)] (4) (H(2)pydc=2,6-pyridinedicarboxylic acid or dipicolinic acid, im=imidazole, mim=2-methylimidazole, ampy=2-amino-4-methylpyridine, and phen=1,10-phenanthroline) were synthesized and characterized by elemental analysis, spectroscopic measurements (UV-vis and IR spectra) and single crystal X-ray diffraction. Complexes 1, 2 and 3 were studied by thermogravimetric analysis from ambient temperature to 1100K under nitrogen and thermal stabilities were investigated. The effects of complexes on proliferation of fibrosarcoma cells were investigated using the Quick Cell Proliferation Assay. The cell viability changes depend on the concentrations and type of complexes. According to cell proliferation/viability data, 4 was determined to be the most cytotoxic.

  DOI：

  10.1080/00958972.2015.1086997

文献信息

• Electronic and bonding properties of mixed ligand pyridine-2,6-dicarboxylate copper(II) complexes: Molecular structures of [Cu(4-dimethylaminopyridine)(pyridine-2,6-dicarboxy lato)] and [Cu(N-methylimidazole)(pyridine-2,6-dicarboxylato)(0.5H2O)]
  作者：Chan-Cheng Su、Shin-Yi Chiu

  DOI：10.1016/0277-5387(95)00542-0

  日期：1996.8

  6-dicarboxylatocopper(II) complexes, [Cu(dipic)(L)] [dipic = pyridine-2,6-dicarboxylate, L = imidazole, N-methylimidazole (nmim), 4-methylimidazole, pyridine, 4-methylpyridine, 4-aminopyridine, 4-dimethylaminopyridine(4dmapy) and NH3 · H2O], have been synthesized and characterized by elemental analyses, and UV—vis, IR and EPR spectroscopic measurements. Molecular structures of [Cu(dipic)(4dmapy)] (1) and [Cu(dipic)(nmim)(H2O)0

  摘要混合配体吡啶-2,6-二羧基铜（II）配合物，[Cu（dipic）（L）] [dipic =吡啶-2,6-二羧酸盐，L =咪唑，N-甲基咪唑（nmim），4-甲基咪唑合成了吡啶，4-甲基吡啶，4-氨基吡啶，4-二甲基氨基吡啶（4dmapy）和NH3· ]并通过元素分析，UV-vis，IR和EPR光谱进行了表征。[Cu（dipic）（4dmapy）]（1）和[Cu（dipic）（nmim）（H2O）0.5]（2）的分子结构已通过X射线衍射法确定。配合物1是方形平面的，而复合物2既包含方形锥体[Cu（dipic）（nmim）（ ）]单元，又包含方形平面[Cu（dipic）（nmim）]单元。赤道杂环的不相同配体与CuN2O2配位平面几乎共面：分别为1、1.3、6.8和13.9°分别为1.3°，1.3°和1.3°。根据其他杂环配合物的光谱数据，它们的结构建议为正方形平面。对于方形平面
• Ang, H. G.; Kwik, W. L., Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1992, vol. 22, p. 703 - 714
  作者：Ang, H. G.、Kwik, W. L.

  DOI：——

  日期：——
• Ullah, M R; Bhattacharya, P K, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1991, vol. 30, # 11, p. 976 - 978
  作者：Ullah, M R、Bhattacharya, P K

  DOI：——

  日期：——