N-Ethyl-2-nitro-4-ethoxy-anilin | 90873-75-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-Ethyl-2-nitro-4-ethoxy-anilin
• 英文别名: 2-Nitro-4-ethoxy-N-ethyl-anilin；4-ethoxy-N-ethyl-2-nitroaniline
• CAS: 90873-75-9
• 化学式: C₁₀H₁₄N₂O₃
• 分子量: 210.233
• InChiKey: FGBIWCAISJIMTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  67.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-Ethyl-2-nitro-4-ethoxy-anilin 在 镍 盐酸 、 氢溴酸 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成 1-乙基-2-甲基-1H-苯并咪唑-5-醇
  参考文献：
  名称：

  Basicity and structure of 5-hydroxybenzimidazoles in nitromethane

  摘要：

  Examination of the acid-base properties of 5-hydroxybenzimidazoles has shown them to exist in nitromethane as the 5-hydroxy-tautomers. Substituents in the 2-position have a predominantly inductive effect on the basicity of the 3-nitrogen, rationalized as in other nitrogen heterocycles by the proximity of the substituents to the reaction center.

  DOI：

  10.1007/bf00869526
• 作为产物：
  描述：

  4-乙氧基-2-硝基苯胺 在 吡啶 、 乙醇 、 sodium 作用下， 反应 8.5h， 生成 N-Ethyl-2-nitro-4-ethoxy-anilin
  参考文献：
  名称：

  Basicity and structure of 5-hydroxybenzimidazoles in nitromethane

  摘要：

  Examination of the acid-base properties of 5-hydroxybenzimidazoles has shown them to exist in nitromethane as the 5-hydroxy-tautomers. Substituents in the 2-position have a predominantly inductive effect on the basicity of the 3-nitrogen, rationalized as in other nitrogen heterocycles by the proximity of the substituents to the reaction center.

  DOI：

  10.1007/bf00869526

文献信息

• Basicity and structure of 5-hydroxybenzimidazoles in nitromethane
  作者：B. A. Korolev、L. A. Osmolovskaya、Yu. V. Kuznetsov、L. G. Stolyarova、L. D. Smirnov

  DOI：10.1007/bf00869526

  日期：1992.2

  Examination of the acid-base properties of 5-hydroxybenzimidazoles has shown them to exist in nitromethane as the 5-hydroxy-tautomers. Substituents in the 2-position have a predominantly inductive effect on the basicity of the 3-nitrogen, rationalized as in other nitrogen heterocycles by the proximity of the substituents to the reaction center.