1-溴-N-(2-甲基苯基)甲磺酰胺 | 919769-36-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-溴-N-(2-甲基苯基)甲磺酰胺
• 英文名称: N-(2-methylphenyl)-1-bromomethanesulfonamide
• 英文别名: 1-Bromo-N-(2-methylphenyl)methanesulfonamide；1-bromo-N-(2-methylphenyl)methanesulfonamide
• CAS: 919769-36-1
• 化学式: C₈H₁₀BrNO₂S
• 分子量: 264.143
• InChiKey: UFSGFJWACVFYHT-UHFFFAOYSA-N

物化性质

• 沸点：
  339.3±52.0 °C(Predicted)
• 密度：
  1.657±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-溴-N-(2-甲基苯基)甲磺酰胺 在 氢氧化钾 、 间氯过氧苯甲酸 作用下， 以 二甲基亚砜 、 苯 为溶剂， 反应 3.1h， 生成
  参考文献：
  名称：

  Aminoxyl Radicals from N-Phenyl-1-(2-oxo-1-azacycloalkyl)-methanesulfonamides

  摘要：

  The synthesis and reaction with two oxidation agents is described for N-phenyl-1-(2-oxo-1- azacycloalkyl) methanesulfonamides. Their oxidation was carried out using RO2. radicals and 3-chloroperbenzoic acid. In both cases, the EPR spectra of corresponding aminoxyl radicals were recorded. Their simulation confirmed that the -SO2- group in the neighbourhood of the -NO center dot- fragment does not prevent the interaction of the unpaired electron with the methylene protons and the nitrogen atom of the heterocyclic ring.

  DOI：

  10.1007/s00706-006-0525-x
• 作为产物：
  描述：

  溴甲烷磺酰氯 、 邻甲苯胺 以 甲苯 为溶剂， 反应 5.0h， 以38%的产率得到1-溴-N-(2-甲基苯基)甲磺酰胺
  参考文献：
  名称：

  Aminoxyl Radicals from N-Phenyl-1-(2-oxo-1-azacycloalkyl)-methanesulfonamides

  摘要：

  The synthesis and reaction with two oxidation agents is described for N-phenyl-1-(2-oxo-1- azacycloalkyl) methanesulfonamides. Their oxidation was carried out using RO2. radicals and 3-chloroperbenzoic acid. In both cases, the EPR spectra of corresponding aminoxyl radicals were recorded. Their simulation confirmed that the -SO2- group in the neighbourhood of the -NO center dot- fragment does not prevent the interaction of the unpaired electron with the methylene protons and the nitrogen atom of the heterocyclic ring.

  DOI：

  10.1007/s00706-006-0525-x