2,2-dimethyl-4,5-diphenyl-2H-imidazole 1,3-dioxide | 87880-25-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,2-dimethyl-4,5-diphenyl-2H-imidazole 1,3-dioxide
• 英文别名: 4,5-diphenyl-2,2-dimethyl-2H-imidazole N,N-dioxide；2,2-dimethyl-3-oxido-4,5-diphenylimidazol-1-ium 1-oxide
• CAS: 87880-25-9
• 化学式: C₁₇H₁₆N₂O₂
• 分子量: 280.326
• InChiKey: OGJYSYQWOCFRHG-UHFFFAOYSA-N

物化性质

• 熔点：
  74.0-74.5 °C(Solvent: Acetone)
• 沸点：
  449.7±28.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 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：

  2,2-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
• 作为产物：
  描述：

  在 溶剂黄146 作用下， 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

文献信息

• Formation of nitroxyl radicals containing fluorine ?-atoms in the reaction of nitrones with xenon difluoride
  作者：I. A. Grigor'ev、V. F. Starichenko、I. A. Kirilyuk、L. B. Volodarskii

  DOI：10.1007/bf00953303

  日期：1989.4
• Katritzky, Alan R.; Borja, Susana Bravo; Marquet, Jorge, Journal of the Chemical Society. Perkin transactions I, 1983, p. 2065 - 2069
  作者：Katritzky, Alan R.、Borja, Susana Bravo、Marquet, Jorge、Sammes, Michael P.

  DOI：——

  日期：——
• ——
  作者：I. G. Irtegova、V. F. Starichenko、I. A. Kirilyuk、I. A. Grigor"ev

  DOI：10.1023/a:1021663910782

  日期：——

  Electrochemical oxidation of 2H-imidazole N-oxides was studied using cyclic voltammetry and ESR spectroscopy. The formation of the 2,2-dimethyl-4,5-diphenyl-2H-imidazole 1,3-dioxide radical cation was noticed for the first time. The possibility of reaction between the 2H-imidazole N,N-dioxide radical cation and methanol including the detachment of a hydrogen atom from the MeOH methyl group was demonstrated.
• Synthesis of nitroxyl radicals ? Derivatives of 5,5-dimethoxy-3-imidazoline-3-oxide-1-oxyl from 2H-imidazole 1,3-dioxides
  作者：I. A. Kirilyuk、I. A. Grigor'ev、L. B. Volodarskii

  DOI：10.1007/bf00960422

  日期：1991.9

  2H-Imidazole 1,3-dioxides containing an aldonitrone fragment in the heterocyclic ring are obtained by the oxidation of 5-unsubstituted 1-hydroxy-3-imidazoline 3-oxides. Their further oxidation by lead dioxide in methanol leads to the formation of stable nitroxyl radicals - 5,5-dimethoxy-3-imidazoline-3-oxide-1-oxyls.
• GRIGOREV, I. A.;STARICHENKO, V. F.;KIRILYUK, I. A.;VOLODARSKIJ, L. B., IZV. AN CCCP. CEP. XIM.,(1989) N, S. 933-957
  作者：GRIGOREV, I. A.、STARICHENKO, V. F.、KIRILYUK, I. A.、VOLODARSKIJ, L. B.

  DOI：——

  日期：——