| 1370711-58-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• CAS: 1370711-58-2
• 化学式: C₂₁H₂₇N₃O₂
• 分子量: 353.464
• InChiKey: UMFLZAQVUXAVGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.22
• 重原子数：
  26.0
• 可旋转键数：
  11.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.21
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 以 乙醇 为溶剂， 以40%的产率得到
  参考文献：
  名称：

  Novel metal-based antimicrobial agents of copper(II) complexes: Synthesis, spectral characterization and DNA interaction study

  摘要：

  Few novel mixed ligand copper(II) complexes of the type [Cu(L)(Cl)(2)(H2O)], [Cu(L)(2)]Cl-2, [Cu(L)L-1] and [Cu(L)(phen)H2O]Cl-2 (where L is the ligand obtained from the condensation of N-(2-aminoethyl)-1,3-propanediamine with m-nitrobenzaldehyde (L-a)/o-chlorobenzaldehyde (L-b)/benzaldehyde (L-c)/p-methoxybenzaldehyde (L-d)/p-hydroxybenzaldehyde (L-e)/furfuraldehyde (L-f)/pyrrole-2-carboxaldehyde (L-g); L-1 is another ligand obtained from the condensation of anthranilic acid with salicyaldehyde; phen = 1,10-phenanthroline) have been synthesized and characterized by the spectral and analytical techniques. From these data, it is found that the ligands adopt distorted octahedral geometry on metalation with Cu(II) ion. The XRD data indicate that the complexes are polycrystalline with nanosized grains. The SEM images of [Cu(L-a)phen(H2O)]Cl-2 and [Cu(L-f)(2)]Cl-2 complexes show that they have leaf and cauliflower like morphology. The in vitro biological screening effects of the investigated compounds have been tested against the bacteria such as Escherichia coli, Klebsiella pneumoniae, Salmonella typhi, Pseudomonas aeruginosa and Staphylococcus aureus and fungi such as Aspergillus niger, Rhizopus stolonifer, Aspergillus flavus, Rhizoctonia bataicola and Candida albicans by the well diffusion method. A comparative study of MIC values of the Schiff base ligands and their complexes indicates that the complexes exhibit higher antimicrobial activity than the free ligands. An electrochemical study of the copper complexes containing electron withdrawing substituted ligands reveals that they prefer to bind to DNA in Cu(II) rather than Cu(I) oxidation state.

  DOI：

  10.1134/s0036023610070120
• 作为产物：
  描述：

  N-(2-乙氨基)-1,3-丙二胺 、 4-甲氧基苯甲醛 以 乙醇 为溶剂， 反应 3.0h， 以36%的产率得到
  参考文献：
  名称：

  Novel metal-based antimicrobial agents of copper(II) complexes: Synthesis, spectral characterization and DNA interaction study

  摘要：

  Few novel mixed ligand copper(II) complexes of the type [Cu(L)(Cl)(2)(H2O)], [Cu(L)(2)]Cl-2, [Cu(L)L-1] and [Cu(L)(phen)H2O]Cl-2 (where L is the ligand obtained from the condensation of N-(2-aminoethyl)-1,3-propanediamine with m-nitrobenzaldehyde (L-a)/o-chlorobenzaldehyde (L-b)/benzaldehyde (L-c)/p-methoxybenzaldehyde (L-d)/p-hydroxybenzaldehyde (L-e)/furfuraldehyde (L-f)/pyrrole-2-carboxaldehyde (L-g); L-1 is another ligand obtained from the condensation of anthranilic acid with salicyaldehyde; phen = 1,10-phenanthroline) have been synthesized and characterized by the spectral and analytical techniques. From these data, it is found that the ligands adopt distorted octahedral geometry on metalation with Cu(II) ion. The XRD data indicate that the complexes are polycrystalline with nanosized grains. The SEM images of [Cu(L-a)phen(H2O)]Cl-2 and [Cu(L-f)(2)]Cl-2 complexes show that they have leaf and cauliflower like morphology. The in vitro biological screening effects of the investigated compounds have been tested against the bacteria such as Escherichia coli, Klebsiella pneumoniae, Salmonella typhi, Pseudomonas aeruginosa and Staphylococcus aureus and fungi such as Aspergillus niger, Rhizopus stolonifer, Aspergillus flavus, Rhizoctonia bataicola and Candida albicans by the well diffusion method. A comparative study of MIC values of the Schiff base ligands and their complexes indicates that the complexes exhibit higher antimicrobial activity than the free ligands. An electrochemical study of the copper complexes containing electron withdrawing substituted ligands reveals that they prefer to bind to DNA in Cu(II) rather than Cu(I) oxidation state.

  DOI：

  10.1134/s0036023610070120