Mcpio | 136440-20-5

• 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: Mcpio
• 英文别名: 3-(2-methyl-1-oxido-4-phenylimidazol-1-ium-2-yl)propanoic acid
• CAS: 136440-20-5
• 化学式: C₁₃H₁₄N₂O₃
• 分子量: 246.266
• InChiKey: ZNEMERUQJJWOOO-UHFFFAOYSA-N

物化性质

• 沸点：
  453.2±37.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  78.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Mcpio 在 lead dioxide 作用下， 以 乙醚 为溶剂， 反应 20.0h， 生成
  参考文献：
  名称：

  Synthesis of 2H-imidazole 1-oxides and stable nitroxyl radicals based on them

  摘要：

  2H-Imidazole 1-oxides containing an aldonitrone group in the heterocyclic ring are obtained by the condensation of hydroximinomethyl ketones with ketones and ammonium acetate. Their oxidation with lead dioxide in methanol gives stable nitroxyl radicals - 5,5-dimethoxy-3-imidazoline-1-oxyls.

  DOI：

  10.1007/bf00960421
• 作为产物：
  描述：

  2-异亚硝基苯乙酮 、 乙酰丙酸 在 ammonium acetate 、 溶剂黄146 作用下， 反应 4.0h， 以75%的产率得到Mcpio
  参考文献：
  名称：

  Synthesis of 2H-imidazole 1-oxides and stable nitroxyl radicals based on them

  摘要：

  2H-Imidazole 1-oxides containing an aldonitrone group in the heterocyclic ring are obtained by the condensation of hydroximinomethyl ketones with ketones and ammonium acetate. Their oxidation with lead dioxide in methanol gives stable nitroxyl radicals - 5,5-dimethoxy-3-imidazoline-1-oxyls.

  DOI：

  10.1007/bf00960421

文献信息

• [EN] EPR METHOD FOR FREE RADICALS DETECTION USING AT LEAST TWO DIFFERENT SPIN TRAPPING COMPOUNDS<br/>[FR] PROCÉDÉ RPE POUR LA DÉTECTION DE RADICAUX LIBRES UTILISANT AU MOINS DEUX COMPOSÉS DE PIÉGEAGE DE SPIN DIFFÉRENTS
  申请人：UNIV CATHOLIQUE LOUVAIN

  公开号：WO2013045429A1

  公开（公告）日：2013-04-04

  The present invention provides a method, a kit and their use for free radicals detection and identification in a sample. The method comprising the steps of: reacting said sample with a spin trapping composition, to produce spin adducts of said spin trapping composition and free radicals and detecting said spin adducts by electron paramagnetic resonance (EPR) spectroscopy or electron spin resonance (ESR), thereby obtaining an EPR signal. The method is characterized in that said spin trapping composition comprises at least two different spin trapping compounds.
• Synthesis of 2H-imidazole 1-oxides and stable nitroxyl radicals based on them
  作者：I. A. Kirilyuk、I. A. Grigor'ev、L. B. Volodarskii

  DOI：10.1007/bf00960421

  日期：1991.9

  2H-Imidazole 1-oxides containing an aldonitrone group in the heterocyclic ring are obtained by the condensation of hydroximinomethyl ketones with ketones and ammonium acetate. Their oxidation with lead dioxide in methanol gives stable nitroxyl radicals - 5,5-dimethoxy-3-imidazoline-1-oxyls.