N'-(4-methylphenyl)sulfonyl-N-(2,3,5-trichloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide | 307553-75-9

• 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'-(4-methylphenyl)sulfonyl-N-(2,3,5-trichloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide
• CAS: 307553-75-9
• 化学式: C₂₀H₁₃Cl₃N₂O₃S
• 分子量: 467.76
• InChiKey: GDTLUMYEBZMYMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  84.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N'-(4-methylphenyl)sulfonyl-N-(2,3,5-trichloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide 在 氯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以87%的产率得到N'-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide
  参考文献：
  名称：

  摘要：

  The study of chlorination of N-(N-arylsulfonylarylimidoyl)-1,4-benzoquinone imines and of N-(N-arylsulfonylarylimidoyl)-1,4-aminophenols revealed that the dominant stage in the process was the formation of cyclohexene structures, 4-(N-arylsulfonylarylimidoyl)imino-2,5,6-trichloro-2-cyclohexene-1-ones, resulting from addition of a Cl-2 molecule across the C=C bond of the quinoid ring. These substances suffer a prototropic rearrangements yielding N-(N-arylsulfonylarylimidoyl)-2,3,6-trichloro-4-aminophenols. The latter are the most common reaction products. The products of deeper chlorination were also obtained.

  DOI：

  10.1023/a:1016555324390
• 作为产物：
  描述：

  N²-p-Toluolsulfonyl-N¹-(4'-hydroxyphenyl)benzamidin 在 氯 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 生成 N'-(4-methylphenyl)sulfonyl-N-(2,3,5-trichloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide
  参考文献：
  名称：

  摘要：

  The study of chlorination of N-(N-arylsulfonylarylimidoyl)-1,4-benzoquinone imines and of N-(N-arylsulfonylarylimidoyl)-1,4-aminophenols revealed that the dominant stage in the process was the formation of cyclohexene structures, 4-(N-arylsulfonylarylimidoyl)imino-2,5,6-trichloro-2-cyclohexene-1-ones, resulting from addition of a Cl-2 molecule across the C=C bond of the quinoid ring. These substances suffer a prototropic rearrangements yielding N-(N-arylsulfonylarylimidoyl)-2,3,6-trichloro-4-aminophenols. The latter are the most common reaction products. The products of deeper chlorination were also obtained.

  DOI：

  10.1023/a:1016555324390