2,2-dimethyl-4-(1-bromo-1-methylethyl)-2H-imidazole 1-oxide | 79614-28-1

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 2,2-dimethyl-4-(1-bromo-1-methylethyl)-2H-imidazole 1-oxide
• 英文别名: 4-(2-Bromopropan-2-yl)-2,2-dimethyl-1-oxo-2H-1lambda~5~-imidazole；4-(2-bromopropan-2-yl)-2,2-dimethyl-1-oxidoimidazol-1-ium
• CAS: 79614-28-1
• 化学式: C₈H₁₃BrN₂O
• 分子量: 233.108
• InChiKey: BSFVMBVHBJHVRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  甲醇 、 2,2-dimethyl-4-(1-bromo-1-methylethyl)-2H-imidazole 1-oxide 在 lead dioxide 作用下， 以50%的产率得到
  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：

  4-formyl-2,2,5,5-tetramethyl-3-imidazolin-1-oxyl oxime 在 溴 作用下， 以 氯仿 为溶剂， 反应 0.5h， 以80%的产率得到2,2-dimethyl-4-(1-bromo-1-methylethyl)-2H-imidazole 1-oxide
  参考文献：
  名称：

  Recycltzation of the imidazoline ring in nitroxyl radical derivatives of 3-imidazoline following oxidation by halogens and nitrous acid

  摘要：

  DOI：

  10.1007/bf01417988

文献信息

• 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.
• Recycltzation of the imidazoline ring in nitroxyl radical derivatives of 3-imidazoline following oxidation by halogens and nitrous acid
  作者：G. I. Shchukin、I. A. Grigor'ev、L. B. Volodarskii

  DOI：10.1007/bf01417988

  日期：1981.7