| 1322877-87-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1322877-87-1
• 化学式: C₆H₄N₂O₂*C₄₂H₇₀O₃₅
• 分子量: 1271.11
• InChiKey: XDNSDDYAASDCGM-ZQOBQRRWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -14.77
• 重原子数：
  87.0
• 可旋转键数：
  7.0
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  607.02
• 氢给体数：
  21.0
• 氢受体数：
  38.0

反应信息

• 作为反应物：
  描述：

  、 乙酰丙酮 以 甲醇 、 水 为溶剂， 生成 乙酰甲喹
  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
• 作为产物：
  描述：

  苯并呋咱 、 β-环糊精 在 alkali hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 0.5h， 生成
  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