2-methoxy-4-[(2-methyl-5-nitrophenylimino)methyl]phenol | 303761-79-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-methoxy-4-[(2-methyl-5-nitrophenylimino)methyl]phenol
• 英文别名: 2-Methoxy-4-[(E)-[(2-methyl-5-nitrophenyl)imino]methyl]phenol；2-methoxy-4-[(2-methyl-5-nitrophenyl)iminomethyl]phenol
• CAS: 303761-79-7
• 化学式: C₁₅H₁₄N₂O₄
• mdl: MFCD00413046
• 分子量: 286.287
• InChiKey: XPPBMIZYVPYWRF-UHFFFAOYSA-N

物化性质

• 熔点：
  103-105 °C(Solv: methanol (67-56-1))
• 沸点：
  489.9±45.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  87.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  邻甲苯胺 在 硫酸 、 硝酸 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 2-methoxy-4-[(2-methyl-5-nitrophenylimino)methyl]phenol
  参考文献：
  名称：

  Synthesis and Antimicrobial Activity of 2-Methyl-5-nitroaniline Derivatives: A Structure-Activity Relationship Study

  摘要：

  AbstractA series of 2‐methyl‐5‐nitroaniline derivatives, 5a–5k and 6a–6f, were synthesized in order to determine their in vitro antimicrobial activity. The chemical structures of the synthesized compounds were confirmed by elemental analyses, UV‐visible, FT‐IR, 1H NMR and 13C NMR spectral studies. The structure‐activity relationships of the synthesized compounds were also discussed. Among the synthesized compounds, 5f, 5d, 6b and 6e showed good antimicrobial activity compared to standard drugs.

  DOI：

  10.1002/cjoc.201190034