1-(methanesulfonyl)-1-methyl-3-((N-(methanesulfonyl)-N-methylamino)sulfonyl)urea

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-(methanesulfonyl)-1-methyl-3-((N-(methanesulfonyl)-N-methylamino)sulfonyl)urea
• 英文别名: 1-(methanesulfonyl)-1-methyl-3-{[N-(methanesulfonyl)-N-methylamino]sulfonyl}urea；1-Methyl-3-[methyl(methylsulfonyl)sulfamoyl]-1-methylsulfonylurea
• 化学式: C₅H₁₃N₃O₇S₃
• 分子量: 323.372
• InChiKey: JJFUZEUZPVRJBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  163
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  氯磺酰异氰酸酯 、 N-甲基甲磺酰胺 以 氯苯 为溶剂， 反应 2.0h， 以91%的产率得到1-(methanesulfonyl)-1-methyl-3-((N-(methanesulfonyl)-N-methylamino)sulfonyl)urea
  参考文献：
  名称：

  On the Formation of (Sulfonylamino)sulfonyl Isocyanates and (Aryloxy)sulfonyl Isocyanates

  摘要：

  A revised mechanism for formation of(aryloxy)sulfonyl isocyanates and (sulfonylamino) sulfonyl isocyanates is proposed. New key intermediates, 4-methylphenyl ((4-methylphenoxy)sulfonyl)-carbamate (8b) and 1-(methanesulfonyl)-1-methyl-3-((N-(methanesulfonyl)-N-methylamino)sulfonyl)-urea (8a), have been identified and synthesized. The structure of 8a has been confirmed by X-ray crystallography.

  DOI：

  10.1021/jo00092a008

文献信息

• Warm Aleksander, Bernardinelli Gerald, J. Org. Chem, 59 (1994) N 13, S 3540-3542
  作者：Warm Aleksander, Bernardinelli Gerald

  DOI：——

  日期：——
• On the Formation of (Sulfonylamino)sulfonyl Isocyanates and (Aryloxy)sulfonyl Isocyanates
  作者：Aleksander Warm、Gerald Bernardinelli

  DOI：10.1021/jo00092a008

  日期：1994.7

  A revised mechanism for formation of(aryloxy)sulfonyl isocyanates and (sulfonylamino) sulfonyl isocyanates is proposed. New key intermediates, 4-methylphenyl ((4-methylphenoxy)sulfonyl)-carbamate (8b) and 1-(methanesulfonyl)-1-methyl-3-((N-(methanesulfonyl)-N-methylamino)sulfonyl)-urea (8a), have been identified and synthesized. The structure of 8a has been confirmed by X-ray crystallography.