[zinc(II)(H2O)2(2-methyl-1H-imidazole-4,5-dicarboxylic acid(-H))2] | 1263074-72-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [zinc(II)(H2O)2(2-methyl-1H-imidazole-4,5-dicarboxylic acid(-H))2]
• 英文别名: zinc;5-carboxy-2-methyl-1H-imidazole-4-carboxylate;dihydrate
• CAS: 1263074-72-1
• 化学式: C₁₂H₁₄N₄O₁₀Zn
• 分子量: 439.654
• InChiKey: JABXTAUZPAPNFM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -4.09
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  214
• 氢给体数：
  6
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  [zinc(II)(H2O)2(2-methyl-1H-imidazole-4,5-dicarboxylic acid(-H))2] 在 air 作用下， 以 neat (no solvent) 为溶剂， 生成 zinc(II) oxide
  参考文献：
  名称：

  Two Zinc(II) Supramolecules Constructed from Imidazole Dicarboxylate: Synthesis, Structures, and Properties

  摘要：

  Treatment of two kinds of imidazole dicarboxylate ligands, 2-methyl-1H-imidazole-4,5-dicarboxylic acid (H3L1) or 2-ethyl-1H-imidazole-4,5-dicarboxylic acid (H3L2) with ZnSO4, or ZnCl2, resulted in two supramolecular complexes, namely [Zn(H2L1)2(H2O)2] (1) and {[Zn(H2L2)2(H2O)2]center dot 3H2O} (2). Molecular structures of the two complexes have been characterized by means of elemental analysis, IR, and single crystal X-ray diffraction. Their thermal behaviors have also been presented.

  DOI：

  10.1080/15533174.2011.555869
• 作为产物：
  描述：

  2-甲基-1H-咪唑-4,5-二羧酸 、 水 、 zinc(II) sulfate 在 NaOH 作用下， 以 甲醇 、 水 为溶剂， 以70%的产率得到[zinc(II)(H2O)2(2-methyl-1H-imidazole-4,5-dicarboxylic acid(-H))2]
  参考文献：
  名称：

  Two Zinc(II) Supramolecules Constructed from Imidazole Dicarboxylate: Synthesis, Structures, and Properties

  摘要：

  Treatment of two kinds of imidazole dicarboxylate ligands, 2-methyl-1H-imidazole-4,5-dicarboxylic acid (H3L1) or 2-ethyl-1H-imidazole-4,5-dicarboxylic acid (H3L2) with ZnSO4, or ZnCl2, resulted in two supramolecular complexes, namely [Zn(H2L1)2(H2O)2] (1) and {[Zn(H2L2)2(H2O)2]center dot 3H2O} (2). Molecular structures of the two complexes have been characterized by means of elemental analysis, IR, and single crystal X-ray diffraction. Their thermal behaviors have also been presented.

  DOI：

  10.1080/15533174.2011.555869