N-[4-hydroxy-3,5-dimethyl-2-(4-methylphenylsulfonyl)phenyl]-N'-(4-methoxyphenylsulfonyl)benzimidamide | 1164118-79-9

• 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-hydroxy-3,5-dimethyl-2-(4-methylphenylsulfonyl)phenyl]-N'-(4-methoxyphenylsulfonyl)benzimidamide
• CAS: 1164118-79-9
• 化学式: C₂₉H₂₈N₂O₆S₂
• 分子量: 564.683
• InChiKey: ALCPDMPSVHJZJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.41
• 重原子数：
  39.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  122.13
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  N-(3,5-dimethyl-4-oxocyclohexa-2,5-dienylidene)-N'-(4-methoxyphenylsulfonyl)benzimidamide 、 sodium 4-methylbenzenesulfinate 在 溶剂黄146 作用下， 以74%的产率得到4-[(4-methoxyphenylsulfonylimino)(phenyl)methylamino]-2,6-dimethylphenyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  Reactions of N-substituted 2,6(3,5)-dialkyl-1,4-benzoquinone imines with arenesulfinic acids

  摘要：

  The regioselectivity in the reactions of N-arylsulfonyl-2,6-dialkyl-1,4-benzoquinone imines with arenesulfinic acids (1,6-, 6,1-, or 6,3-addition) is determined by steric factor, while in the reactions of N-aroyl-1,4-benzoquinone imines electronic effect of substituents in the quinoid ring is crucial. The reactions of N-arylsulfonyl-3,5-dimethyl-1,4-benzoquinone imines with arenesulfinic acids follow mainly the 1,4-addition pattern. N-(N-Arylsulfonylbenzimidoyl)-1,4-benzoquinone imines are capable of reacting in a way similar to both N-arylsulfonyl and N-aroyl derivatives.

  DOI：

  10.1134/s1070428009010084