| 1431626-75-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 1431626-75-3
• 化学式: C₃H₄N₂*C₉H₇NO₄*Cu
• 分子量: 324.783
• InChiKey: OZFBTPMDTYBOKY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.96
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  124.46
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  聚甘氨酸 、 2,3-二羟基苯甲醛 、 咪唑 、 copper(II) acetate monohydrate 以 乙醇 为溶剂， 以63%的产率得到
  参考文献：
  名称：

  Synthesis, structure, and antimicrobial activity of copper(II) chelates containing imidazole and condensation products of α-amino acids with salicylaldehyde and its derivatives

  摘要：

  Salicylaldehyde, 5-bromo- and 5-nitrosalicylaldehydes, 2-hydroxynaphthalene-1-carbaldehyde, and 2,3-, 2,4-, and 2,5-dihydroxybenzaldehydes reacted with glycine, alanine, and phenylalanine in ethanol in the presence of imidazole (Im) and copper(II) acetate hydrate to give copper(II) chelates with the composition Cu(Im)(L) center dot nH(2)O (H2L is the condensation product of the above aldehydes with alpha-amino acids; n = 0-2). The structure of the complex Cu(Im)(L-1) [H2L1 = 2-(2-hydroxybenzylideneamino)acetic acid] was determined by X-ray analysis. The crystalline structure of [2-(2-hydroxybenzylideneamino)acetato](imidazole)copper is formed by polymeric chains of the Cu(Im)(L-1) molecules linked through bridging oxygen atoms in the carboxy groups of the Schiff base ligand. The coordination unit has a distorted tetragonal pyramid configuration, where the pyramid base is composed of the phenol and carboxy oxygen atoms, CH=N nitrogen atom in the ligand H2L1 and imidazole nitrogen atom. The oxygen atom in the carboxy group in the neighboring molecule occupies the apical position of the coordination pyramid. The other coordination compounds also have polynuclear structure with the Schiff base H2L acting as doubly deprotonated tridentate O,N,O-ligand and bridging carboxy groups. Thermal decomposition of the complexes includes their dehydration (70-95A degrees C), while complete thermal decomposition occurs at 360-530A degrees C. The synthesized complexes showed selective antimicrobial activity in the concentration range from 75 to 300 mu g/ml against a number of standard strains of Staphylococcus aureus and Escherichia coli.

  DOI：

  10.1134/s1070363213030201