2-(2-Aminoethyliminomethyl)-4-methylphenol | 101512-44-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(2-Aminoethyliminomethyl)-4-methylphenol
• CAS: 101512-44-1
• 化学式: C₁₀H₁₄N₂O
• 分子量: 178.234
• InChiKey: POCVQYWOXCCIRQ-UHFFFAOYSA-N

物化性质

• 熔点：
  158 °C(Solv: tetrahydrofuran (109-99-9))
• 沸点：
  319.9±42.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-Aminoethyliminomethyl)-4-methylphenol 、 水杨醛 以 乙醇 为溶剂， 反应 16.0h， 以14.2%的产率得到2-[2-[(2-Hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-methylphenol
  参考文献：
  名称：

  Synthesis, characterization, and antimicrobial activities of nickel(II) and copper(II) Schiff-base complexes

  摘要：

  Ni(II) and Cu(II) metal complexes of simple unsymmetrical Schiff-base ligands derived from salicylaldehyde/5-methylsalicylaldehyde and ethylenediamine or diaminomaleonitrile (DMN) were synthesized. The ligands and their complexes were characterized by elemental analysis, 1H NMR, FT IR, and mass spectroscopy. The electronic spectra of the complexes show d-d transitions in the region at 450-600 nm. Electrochemical studies of the complexes reveal that all mononuclear complexes show a one-electron quasi-reversible reduction wave in the cathodic region. ESR spectra of the mononuclear copper(II) complexes show four lines, characteristic of square-planar geometry, with nuclear hyperfine spin 3/2. The copper(II) complexes show a normal room temperature magnetic moment value eff = 1.70-1.74 BM which is close to the spin only value of 1.73 BM. Kinetic studies on the oxidation of pyrocatechol to o-quinone using the copper(II) complexes as catalysts were also carried out. The in vitro antimicrobial activity of the investigated compounds was tested against human pathogenic bacterias such as Staphylococcus aureus, Bacillus subtilis, Klebsiella pneumonia, Pseudomonas aeruginosa and Escherichia coli. The antifungal activity was tested against Candida albicans. Generally, the metal complexes have higher antimicrobial activity than the free ligands.

  DOI：

  10.1080/00958970903296362
• 作为产物：
  描述：

  5-甲基水杨醛 、 乙二胺 以 氯仿 为溶剂， 反应 18.0h， 以34.8%的产率得到2-(2-Aminoethyliminomethyl)-4-methylphenol
  参考文献：
  名称：

  Synthesis, characterization, and antimicrobial activities of nickel(II) and copper(II) Schiff-base complexes

  摘要：

  Ni(II) and Cu(II) metal complexes of simple unsymmetrical Schiff-base ligands derived from salicylaldehyde/5-methylsalicylaldehyde and ethylenediamine or diaminomaleonitrile (DMN) were synthesized. The ligands and their complexes were characterized by elemental analysis, 1H NMR, FT IR, and mass spectroscopy. The electronic spectra of the complexes show d-d transitions in the region at 450-600 nm. Electrochemical studies of the complexes reveal that all mononuclear complexes show a one-electron quasi-reversible reduction wave in the cathodic region. ESR spectra of the mononuclear copper(II) complexes show four lines, characteristic of square-planar geometry, with nuclear hyperfine spin 3/2. The copper(II) complexes show a normal room temperature magnetic moment value eff = 1.70-1.74 BM which is close to the spin only value of 1.73 BM. Kinetic studies on the oxidation of pyrocatechol to o-quinone using the copper(II) complexes as catalysts were also carried out. The in vitro antimicrobial activity of the investigated compounds was tested against human pathogenic bacterias such as Staphylococcus aureus, Bacillus subtilis, Klebsiella pneumonia, Pseudomonas aeruginosa and Escherichia coli. The antifungal activity was tested against Candida albicans. Generally, the metal complexes have higher antimicrobial activity than the free ligands.

  DOI：

  10.1080/00958970903296362