2-(3-Nitro-phenyliminomethyl)chinoxalin | 104182-65-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-(3-Nitro-phenyliminomethyl)chinoxalin
• 英文别名: (E)-N-(3-Nitrophenyl)-1-(quinoxalin-2-yl)methanimine；N-(3-nitrophenyl)-1-quinoxalin-2-ylmethanimine
• CAS: 104182-65-2
• 化学式: C₁₅H₁₀N₄O₂
• 分子量: 278.27
• InChiKey: UPTPDZISOSLMLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(3-Nitro-phenyliminomethyl)chinoxalin 、 亚磷酸二甲酯 在 sodium methylate 作用下， 以 甲醇 为溶剂， 以34%的产率得到2-<(3-Nitro-anilino)(dimethoxyphosphoryl)methyl>chinoxalin
  参考文献：
  名称：

  Niclas, Hans-Joachim; Sukale, Sabine; Richter, Hans-Juergen, Zeitschrift fur Chemie, 1985, vol. 25, # 10, p. 368 - 369

  摘要：

  DOI：
• 作为产物：
  描述：

  2-喹喔啉甲醛 、 间硝基苯胺 以 乙醇 为溶剂， 反应 0.08h， 以68%的产率得到2-(3-Nitro-phenyliminomethyl)chinoxalin
  参考文献：
  名称：

  OH˙ loss and molecular rearrangements of quinoxalineN-oxides studied by interpretation of mass spectra and application of linear discriminant analysis

  摘要：

  AbstractQuinoxaline N‐oxides substituted at the ortho position to the NO group give characteristic [M – OH]+ fragments. With the di‐N‐oxides the peak intensities depend on the electron‐withdrawing strength of the 2‐ and 3‐substituents. Linear discriminant analysis was used to study the fragmentation of quinoxaline N‐oxides as determined by the number of NO groups. Results of peak selection and discriminant analysis (Fisher quotients and discriminant vector coefficients) were interpreted with regard to the mass spectrometric decomposition of quinoxaline and quinoxaline N‐oxide molecules. For the substituted quinoxaline TV‐oxides, fragmentations involving molecular rearrangements like those observed for unsubstituted quinoxaline N‐oxidles were also found. For these compounds, partial rearrangement to quinoxalinones is confirmed.

  DOI：

  10.1002/oms.1210220507

文献信息

• OH˙ loss and molecular rearrangements of quinoxalineN-oxides studied by interpretation of mass spectra and application of linear discriminant analysis
  作者：M. Bartoszek、D. Salzwedel、G. Stumm、H.-J. Niclas

  DOI：10.1002/oms.1210220507

  日期：1987.5

  AbstractQuinoxaline N‐oxides substituted at the ortho position to the NO group give characteristic [M – OH]+ fragments. With the di‐N‐oxides the peak intensities depend on the electron‐withdrawing strength of the 2‐ and 3‐substituents. Linear discriminant analysis was used to study the fragmentation of quinoxaline N‐oxides as determined by the number of NO groups. Results of peak selection and discriminant analysis (Fisher quotients and discriminant vector coefficients) were interpreted with regard to the mass spectrometric decomposition of quinoxaline and quinoxaline N‐oxide molecules. For the substituted quinoxaline TV‐oxides, fragmentations involving molecular rearrangements like those observed for unsubstituted quinoxaline N‐oxidles were also found. For these compounds, partial rearrangement to quinoxalinones is confirmed.
• Niclas, Hans-Joachim; Sukale, Sabine; Richter, Hans-Juergen, Zeitschrift fur Chemie, 1985, vol. 25, # 10, p. 368 - 369
  作者：Niclas, Hans-Joachim、Sukale, Sabine、Richter, Hans-Juergen

  DOI：——

  日期：——