2,2,4-trimethyl-5-phenyl-2H-imidazole 1-oxide | 20594-50-7

• 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: 2,2,4-trimethyl-5-phenyl-2H-imidazole 1-oxide
• 英文别名: 2,2,5-Trimethyl-4-phenyl-2h-imidazole 3-oxide；2,2,4-trimethyl-1-oxido-5-phenylimidazol-1-ium
• CAS: 20594-50-7
• 化学式: C₁₂H₁₄N₂O
• 分子量: 202.256
• InChiKey: NRJABDZFDCXYNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2,4-trimethyl-5-phenyl-2H-imidazole 1-oxide 在 硫酸 、 硝酸 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 2,2,4-Trimethyl-5-(4-nitro-phenyl)-6-oxa-1,3-diaza-bicyclo[3.1.0]hex-3-ene
  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
• ——
  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.
• 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：——