2,4-dichlorobenzyl N-(4-chlorophenyl)-sulfamoylcarbamate

• 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: 2,4-dichlorobenzyl N-(4-chlorophenyl)-sulfamoylcarbamate
• 英文别名: 4-Chlorophenylaminosulfonyl carbamic acid 2,4-dichlorobenzylester；(2,4-dichlorophenyl)methyl N-[(4-chlorophenyl)sulfamoyl]carbamate
• 化学式: C₁₄H₁₁Cl₃N₂O₄S
• 分子量: 409.677
• InChiKey: BQWONWHDDKMKKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  92.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  均三甲苯 、 2,4-dichlorobenzyl N-(4-chlorophenyl)-sulfamoylcarbamate 反应 5.0h， 以88%的产率得到1,3-dichlor-4-(2,4,6-trimethylbenzyl)-benzene
  参考文献：
  名称：

  Uncatalyzed Friedel−Crafts Alkylation of Aromatic Compounds through Reactive Benzyl Cations Generated from N-Sulfamoylcarbamates

  摘要：

  [GRAPHICS]A new method for the generation of highly reactive benzyl cations by thermal decomposition of aryl-benzyl-sulfamoylcarbamates, obtained in a one-pot reaction from chlorosulfonyl isocyanate, is described. The generated cations alkylate aromatic compounds efficiently in the absence of catalysts.

  DOI：

  10.1021/ol0272489
• 作为产物：
  描述：

  氯磺酰异氰酸酯 、 2,4-二氯苄醇 、 对氯苯胺 以 四氢呋喃 为溶剂， 反应 2.5h， 以87%的产率得到2,4-dichlorobenzyl N-(4-chlorophenyl)-sulfamoylcarbamate
  参考文献：
  名称：

  Uncatalyzed Friedel−Crafts Alkylation of Aromatic Compounds through Reactive Benzyl Cations Generated from N-Sulfamoylcarbamates

  摘要：

  [GRAPHICS]A new method for the generation of highly reactive benzyl cations by thermal decomposition of aryl-benzyl-sulfamoylcarbamates, obtained in a one-pot reaction from chlorosulfonyl isocyanate, is described. The generated cations alkylate aromatic compounds efficiently in the absence of catalysts.

  DOI：

  10.1021/ol0272489

文献信息

• Uncatalyzed Friedel−Crafts Alkylation of Aromatic Compounds through Reactive Benzyl Cations Generated from <i>N</i>-Sulfamoylcarbamates
  作者：Michael Sefkow、Jens Buchs

  DOI：10.1021/ol0272489

  日期：2003.1.1

  [GRAPHICS]A new method for the generation of highly reactive benzyl cations by thermal decomposition of aryl-benzyl-sulfamoylcarbamates, obtained in a one-pot reaction from chlorosulfonyl isocyanate, is described. The generated cations alkylate aromatic compounds efficiently in the absence of catalysts.