N-methyl-N-(4-chlorophenyl)sulfamoyl-2-methylimidazole | 868623-11-4

• 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-methyl-N-(4-chlorophenyl)sulfamoyl-2-methylimidazole
• 英文别名: N-(4-chlorophenyl)-N,2-dimethylimidazole-1-sulfonamide
• CAS: 868623-11-4
• 化学式: C₁₁H₁₂ClN₃O₂S
• 分子量: 285.754
• InChiKey: BBYSAPLMHBSBNG-UHFFFAOYSA-N

物化性质

• 沸点：
  464.6±47.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  63.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-methyl-N-(4-chlorophenyl)sulfamoyl-2-methylimidazole 以 二氯甲烷 、 乙腈 为溶剂， 反应 2.0h， 生成 [N-[[N-methyl-N-(4-chlorophenyl)]amino]sulfonyl-N-[4-[2-(2-phenyl-5-methyloxazol-4-yl)ethoxy]benzyl]amino]acetic acid ethyl ester
  参考文献：
  名称：

  Efficient synthesis of arylsulfamides by reaction of amines with arylsulfamoyl imidazolium triflate

  摘要：

  Aryisulfamoyl imidazolium triflates, readily prepared from the corresponding chlorides, react with amines under neutral conditions to form arylsulfamides in high yields. This methodology, which contrasts with the slow and inefficient reactions of amines with arylsulfamoyl chlorides, is applied to the synthesis of arylsulfamide 3a, a bioisotere of muraglitazar. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.08.092
• 作为产物：
  描述：

  N-methyl-N-(4-chlorophenyl)sulfamoyl chloride 、 2-甲基咪唑 以 乙腈 为溶剂， 以96%的产率得到N-methyl-N-(4-chlorophenyl)sulfamoyl-2-methylimidazole
  参考文献：
  名称：

  Efficient synthesis of arylsulfamides by reaction of amines with arylsulfamoyl imidazolium triflate

  摘要：

  Aryisulfamoyl imidazolium triflates, readily prepared from the corresponding chlorides, react with amines under neutral conditions to form arylsulfamides in high yields. This methodology, which contrasts with the slow and inefficient reactions of amines with arylsulfamoyl chlorides, is applied to the synthesis of arylsulfamide 3a, a bioisotere of muraglitazar. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.08.092