bismuth(III) 1H-imidazole-4,5-dicarboxylate 5-carboxy-1H-imidazole-4-carboxylate | 1426915-69-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: bismuth(III) 1H-imidazole-4,5-dicarboxylate 5-carboxy-1H-imidazole-4-carboxylate
• CAS: 1426915-69-6
• 化学式: Bi*C₅H₂N₂O₄*C₅H₃N₂O₄
• 分子量: 518.152
• InChiKey: FTEGLSRJJKENPD-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -4.77
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  215.05
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  bismuth (III) nitrate pentahydrate 、 咪唑-4,5-二羧酸 在 哌嗪 作用下， 以 水 为溶剂， 反应 72.0h， 以77%的产率得到bismuth(III) 1H-imidazole-4,5-dicarboxylate 5-carboxy-1H-imidazole-4-carboxylate
  参考文献：
  名称：

  Bismuth Carboxylates with Brucite- and Fluorite-Related Structures: Synthesis Structure and Properties

  摘要：

  Three new compounds of bismuth, [C4N2H10]center dot[Bi(C7H4NO4)(C7H3NO4)]center dot H2O, I, [Bi(C5H3N2O4) (C5H2N2O4)], II, and [Bi(mu(2)-OH)(C7H3NO4)], III, have been prepared by the reaction between bismuth nitrate and heterocyclic aromatic dicarboxylic acids, 2,6-pyridinedicarboxylic acid, 4,5-imidazoledicarboxylic acid, and 3,4-pyridinedicarboxylic acid, respectively, under hydrothermal conditions. The structures of all the compounds have linkages between Bi2O2 and the corresponding dicarboxylate forming a simple molecular unit in I, a bilayer arrangement in II, and a three-dimensional extended structure in III. The topological arrangement of the nodal building units in the structures indicates that a brucite-related layer (II) and fluorite-related arrangement (III) can be realized in these structures. By utilizing the secondary interactions, one can correlate the structure of III to a Kagome-related one. The observation of such classical inorganic related structures in the bismuth carboxylates is noteworthy. Lewis acid catalytic studies on the formation of ketal suggest the possible participatory role of the lone pair of electrons. All the compounds are characterized employing elemental analysis, IR, UV-vis, and thermal studies.

  DOI：

  10.1021/cg4000654
• 作为试剂：
  描述：

  乙二醇 、 丙酮 在 bismuth(III) 1H-imidazole-4,5-dicarboxylate 5-carboxy-1H-imidazole-4-carboxylate 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 2,2-二甲基-1,3-二氧环戊烷
  参考文献：
  名称：

  Bismuth Carboxylates with Brucite- and Fluorite-Related Structures: Synthesis Structure and Properties

  摘要：

  Three new compounds of bismuth, [C4N2H10]center dot[Bi(C7H4NO4)(C7H3NO4)]center dot H2O, I, [Bi(C5H3N2O4) (C5H2N2O4)], II, and [Bi(mu(2)-OH)(C7H3NO4)], III, have been prepared by the reaction between bismuth nitrate and heterocyclic aromatic dicarboxylic acids, 2,6-pyridinedicarboxylic acid, 4,5-imidazoledicarboxylic acid, and 3,4-pyridinedicarboxylic acid, respectively, under hydrothermal conditions. The structures of all the compounds have linkages between Bi2O2 and the corresponding dicarboxylate forming a simple molecular unit in I, a bilayer arrangement in II, and a three-dimensional extended structure in III. The topological arrangement of the nodal building units in the structures indicates that a brucite-related layer (II) and fluorite-related arrangement (III) can be realized in these structures. By utilizing the secondary interactions, one can correlate the structure of III to a Kagome-related one. The observation of such classical inorganic related structures in the bismuth carboxylates is noteworthy. Lewis acid catalytic studies on the formation of ketal suggest the possible participatory role of the lone pair of electrons. All the compounds are characterized employing elemental analysis, IR, UV-vis, and thermal studies.

  DOI：

  10.1021/cg4000654