N-phenyl-1-bromomethanesulfonamide | 54114-59-9

• 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: N-phenyl-1-bromomethanesulfonamide
• 英文别名: N-Phenyl-bromomethansulfonamid；Brommethansulfonsaeure-anilid；Methanesulfonamide, 1-bromo-N-phenyl-；1-bromo-N-phenylmethanesulfonamide
• CAS: 54114-59-9
• 化学式: C₇H₈BrNO₂S
• 分子量: 250.116
• InChiKey: OYYBZKOOARPRGX-UHFFFAOYSA-N

物化性质

• 熔点：
  77 °C
• 沸点：
  332.8±44.0 °C(Predicted)
• 密度：
  1.747±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 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：

  N-phenyl-1-bromomethanesulfonamide 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 、 苯胺 以 甲苯 为溶剂， 反应 5.0h， 以50%的产率得到N-phenyl-1-bromomethanesulfonamide
  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

文献信息

• 611. Arylamides of halogenated methane- and ethane-sulphonic acids
  作者：W. V. Farrar

  DOI：10.1039/jr9600003058

  日期：——
• Aminoxyl Radicals from N-Phenyl-1-(2-oxo-1-azacycloalkyl)-methanesulfonamides
  作者：Marek Burian、Ladislav Omelka、Oldřich Farsa、Silvia Hrubanová

  DOI：10.1007/s00706-006-0525-x

  日期：2006.9

  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.