N-[(E)-1H-imidazol-5-ylmethylidene]-N-[3-(1H-imidazol-1-yl)propyl]amine | 1432046-73-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-[(E)-1H-imidazol-5-ylmethylidene]-N-[3-(1H-imidazol-1-yl)propyl]amine
• CAS: 1432046-73-5
• 化学式: C₁₀H₁₃N₅
• 分子量: 203.247
• InChiKey: ZWPXXCZWOZEMIE-IZZDOVSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.12
• 重原子数：
  15.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  58.86
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-[(E)-1H-imidazol-5-ylmethylidene]-N-[3-(1H-imidazol-1-yl)propyl]amine 、 silver perchlorate 以 甲醇 为溶剂， 反应 2.0h， 以28%的产率得到[Ag(N-[(E)-1H-imidazol-5-ylmethylidene]-N-[3-(1H-imidazol-1-yl)propyl]amine)]ClO₄
  参考文献：
  名称：

  Imidazole Schiff base ligands: Synthesis, coordination complexes and biological activities

  摘要：

  1-(3-Aminopropyl)imidazole (Apim) reacts with salicylaldehyde and a selection of imidazole aldehydes and the resulting Schiff base ligands readily coordinate to Zn(II), Cu(II) and Ag(I) centres. X-ray crystal structures were obtained for two of the free ligands and also the Ag(I) complex of the Apim-salicylaldehyde ligand. Encouragingly, all of free ligands and most of their metal complexes are relatively non-toxic, in vivo, towards Galleria mellonella. Although the free ligands and the Cu(II) and Zn(II) complexes are inactive, in vitro, against a selection of microbial pathogens, most of the Ag(I) complexes exhibit moderate anti-bacterial activity and good anti-fungal activity. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.03.023
• 作为产物：
  描述：

  1-(3-氨基丙基)咪唑 、 4-咪唑甲醛 以 甲醇 为溶剂， 反应 3.0h， 以94%的产率得到N-[(E)-1H-imidazol-5-ylmethylidene]-N-[3-(1H-imidazol-1-yl)propyl]amine
  参考文献：
  名称：

  Imidazole Schiff base ligands: Synthesis, coordination complexes and biological activities

  摘要：

  1-(3-Aminopropyl)imidazole (Apim) reacts with salicylaldehyde and a selection of imidazole aldehydes and the resulting Schiff base ligands readily coordinate to Zn(II), Cu(II) and Ag(I) centres. X-ray crystal structures were obtained for two of the free ligands and also the Ag(I) complex of the Apim-salicylaldehyde ligand. Encouragingly, all of free ligands and most of their metal complexes are relatively non-toxic, in vivo, towards Galleria mellonella. Although the free ligands and the Cu(II) and Zn(II) complexes are inactive, in vitro, against a selection of microbial pathogens, most of the Ag(I) complexes exhibit moderate anti-bacterial activity and good anti-fungal activity. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.03.023