dichlorobis[3,5-dimethoxycarbonyl-2,6-dimentyl-4-(2-nitrophenyl)pyridine]copper(II) | 172669-45-3

• 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: dichlorobis[3,5-dimethoxycarbonyl-2,6-dimentyl-4-(2-nitrophenyl)pyridine]copper(II)
• 英文别名: copper;dimethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate;dichloride
• CAS: 172669-45-3
• 化学式: C₃₄H₃₂Cl₂CuN₄O₁₂
• 分子量: 823.1
• InChiKey: KFYTVKZFPLUARZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  53
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  223
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  硝苯地平 、 copper dichloride 以 乙醇 为溶剂， 生成 dichlorobis[3,5-dimethoxycarbonyl-2,6-dimentyl-4-(2-nitrophenyl)pyridine]copper(II)
  参考文献：
  名称：

  3,5-Dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrosophenyl)pyridine and Dichlorobis[3,5-dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)pyridine]copper(II)

  摘要：

  Two decomposition products of the calcium channel blocker nifedipine {the title compounds dimethyl 2,6-dimethyl-4-(2-nitrosophenyl)pyridine-3,5-dicarboxylate, C17H16N2O5, and dichlorobis[dimethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate-N]copper(II), [CuCl2(C17H16N2O6)2]}, have been found to exist in the solid state, with approximately perpendicular orientations of the pyridine and phenyl rings. Unlike in the parent compound, the ester groups are not coplanar with their pyridine ring, but the nitro and nitroso substituents are coplanar with their respective phenyl rings.

  DOI：

  10.1107/s0108270195005828