2,2-Dimethyl-4,5-diphenyl-6-oxa-1,3-diaza-bicyclo[3.1.0]hex-3-ene 3-oxide | 166192-78-5

• 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: 2,2-Dimethyl-4,5-diphenyl-6-oxa-1,3-diaza-bicyclo[3.1.0]hex-3-ene 3-oxide
• CAS: 166192-78-5
• 化学式: C₁₇H₁₆N₂O₂
• 分子量: 280.326
• InChiKey: CPTZFNLUTAWGMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.84
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  41.61
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2,2-Dimethyl-4,5-diphenyl-6-oxa-1,3-diaza-bicyclo[3.1.0]hex-3-ene 3-oxide 在 溶剂黄146 作用下， 以 苯 为溶剂， 反应 3.0h， 生成 2,2-dimethyl-4,5-diphenyl-2H-imidazole 1,3-dioxide
  参考文献：
  名称：

  Photochemical isomerization of 2H-imidazoleN-oxides

  摘要：

  1,3-Diaza-6-oxabicyclo[3.1.0]hex-3-enes and their 3-oxides were obtained by the photolysis of 2H-imidazole 1-oxides and 2H-imidazole 1,3-dioxides. 1,3-Diaza-6-oxabicyclo[3.1.0]hex-3-ene 3-oxides are thermally unstable and are converted to the starting 2H-imidazole 1,3-dioxides; their further photolysis affords a mixture of stereoisomeric 1,3-diaza-4,7-dioxatricyclo[4.1.0.0(3,5)]heptanes.

  DOI：

  10.1007/bf00698885
• 作为产物：
  描述：

  2,2-dimethyl-4,5-diphenyl-2H-imidazole 1,3-dioxide 以 乙醇 为溶剂， 生成 2,2-Dimethyl-4,5-diphenyl-6-oxa-1,3-diaza-bicyclo[3.1.0]hex-3-ene 3-oxide
  参考文献：
  名称：

  Photochemical isomerization of 2H-imidazoleN-oxides

  摘要：

  1,3-Diaza-6-oxabicyclo[3.1.0]hex-3-enes and their 3-oxides were obtained by the photolysis of 2H-imidazole 1-oxides and 2H-imidazole 1,3-dioxides. 1,3-Diaza-6-oxabicyclo[3.1.0]hex-3-ene 3-oxides are thermally unstable and are converted to the starting 2H-imidazole 1,3-dioxides; their further photolysis affords a mixture of stereoisomeric 1,3-diaza-4,7-dioxatricyclo[4.1.0.0(3,5)]heptanes.

  DOI：

  10.1007/bf00698885