N-[4-hydroxy-2,5-dimethyl-3-(4-methylphenylsulfonyl)phenyl]-N'-(4-methoxyphenylsulfonyl)benzimidamide | 1189803-18-6

• 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-hydroxy-2,5-dimethyl-3-(4-methylphenylsulfonyl)phenyl]-N'-(4-methoxyphenylsulfonyl)benzimidamide
• 英文别名: N-[4-hydroxy-2,5-dimethyl-3-(4-methylphenyl-sulfonyl)phenyl]-N'-(4-methoxyphenylsulfonyl)-benzimidamide；N-[4-hydroxy-2,5-dimethyl-3-(4-methylphenyl)sulfonylphenyl]-N'-(4-methoxyphenyl)sulfonylbenzenecarboximidamide
• CAS: 1189803-18-6
• 化学式: C₂₉H₂₈N₂O₆S₂
• 分子量: 564.683
• InChiKey: DVFBPXGRYXPJAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-N'-(4-methoxyphenylsulfonyl)benzimidamide 、 sodium 4-methylbenzenesulfinate 以 溶剂黄146 为溶剂， 以79%的产率得到N-[4-hydroxy-2,5-dimethyl-3-(4-methylphenylsulfonyl)phenyl]-N'-(4-methoxyphenylsulfonyl)benzimidamide
  参考文献：
  名称：

  Reaction of N-substituted 2,5-dialkyl-1,4-benzoquinone imines with arenesulfinic acids

  摘要：

  Reactions of N-aroyl-, N-arylsulfonyl-, and N-(N-arylsulfonylbenzimidoyl)-2,5-dialkyl-1,4-benzoquinone imines with sodium arenesulfinates in acetic acid gave the corresponding 1,4-, 6,1-, and 1,6-addition products. Variation of the size and donor power of substituents in positions 2 and 5 of the quinoid ring almost does not affect the ratio of the addition products, which is determined mainly by the nature of substituent on the nitrogen atom.

  DOI：

  10.1134/s1070428009030063