2-Butyl-3-methylchinoxalin-1,4-dioxiod | 77236-79-4

• 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-Butyl-3-methylchinoxalin-1,4-dioxiod
• 英文别名: 2-Butyl-3-methyl-1-oxoquinoxalin-1-ium-4(1H)-olate；2-butyl-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
• CAS: 77236-79-4
• 化学式: C₁₃H₁₆N₂O₂
• 分子量: 232.282
• InChiKey: OSLOYVPFKCGCTJ-UHFFFAOYSA-N

物化性质

• 熔点：
  67-68 °C
• 沸点：
  426.4±55.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  46.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Butyl-3-methylchinoxalin-1,4-dioxiod 在 sodium dithionite 作用下， 以 甲醇 、 水 为溶剂， 反应 3.0h， 以73%的产率得到2-Butyl-3-methylchinoxalin
  参考文献：
  名称：

  Heyns, Kurt; Behse, Ernst; Francke, Wittko, Chemische Berichte, 1981, vol. 114, # 1, p. 240 - 245

  摘要：

  DOI：
• 作为产物：
  描述：

  2-硝基苯胺 在 sodium chloride dihydrate 、 β-环糊精 、 potassium hydroxide 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 反应 3.67h， 生成 2-Butyl-3-methylchinoxalin-1,4-dioxiod
  参考文献：
  名称：

  Effective Promotion of Beirut Reaction by β-Cyclodextrin in Water

  摘要：

  A mild and highly efficient, environmentally friendly procedure has been developed for the conversion from benzofurazan-N-oxides to quinoxaline di-N-oxides in the presence of beta-cyclodextrin in water at room temperature with excellent yields. The application of cyclodextrin precludes the use of organic solvent, and the catalyst can be recovered and reused in subsequent reactions with the same catalytic activity. Herein, the Beirut reaction is carried out in the medium of water for the first time. The reaction mechanism was proposed based on the inclusion complexation of b-cyclodextrin with benzofurazan-N-oxides which was confirmed by H-1 NMR, ultraviolet/visible spectrum, and infrared spectroscopy.

  DOI：

  10.1080/00397911.2010.517371

文献信息

• HEYNS K.; BEHSE E.; FRANCKE W., CHEM. BER., 1981, 114, NO 1, 240-245
  作者：HEYNS K.、 BEHSE E.、 FRANCKE W.

  DOI：——

  日期：——
• LIN, SHUKUN, INYUN XUASYUEH, 5,(1988) N 4, S. 17-23
  作者：LIN, SHUKUN

  DOI：——

  日期：——
• Heyns, Kurt; Behse, Ernst; Francke, Wittko, Chemische Berichte, 1981, vol. 114, # 1, p. 240 - 245
  作者：Heyns, Kurt、Behse, Ernst、Francke, Wittko

  DOI：——

  日期：——
• Effective Promotion of Beirut Reaction by <font>β</font>-Cyclodextrin in Water
  作者：Tao Sun、Wen-Jing Zhao、Ai-You Hao、Li-Zhen Sun

  DOI：10.1080/00397911.2010.517371

  日期：2011.10.15

  A mild and highly efficient, environmentally friendly procedure has been developed for the conversion from benzofurazan-N-oxides to quinoxaline di-N-oxides in the presence of beta-cyclodextrin in water at room temperature with excellent yields. The application of cyclodextrin precludes the use of organic solvent, and the catalyst can be recovered and reused in subsequent reactions with the same catalytic activity. Herein, the Beirut reaction is carried out in the medium of water for the first time. The reaction mechanism was proposed based on the inclusion complexation of b-cyclodextrin with benzofurazan-N-oxides which was confirmed by H-1 NMR, ultraviolet/visible spectrum, and infrared spectroscopy.