N-[4-hydroxy-5-isopropyl-2-methyl-3-(4-methylphenylsulfonyl)phenyl]-N'-(4-methoxyphenylsulfonyl)benzimidamide | 1189803-21-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: N-[4-hydroxy-5-isopropyl-2-methyl-3-(4-methylphenylsulfonyl)phenyl]-N'-(4-methoxyphenylsulfonyl)benzimidamide
• CAS: 1189803-21-1
• 化学式: C₃₁H₃₂N₂O₆S₂
• 分子量: 592.737
• InChiKey: GRFZXBPTIVPCOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.22
• 重原子数：
  41.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 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-(5-isopropyl-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-N'-(4-methoxyphenylsulfonyl)benzimidamide 、 sodium 4-methylbenzenesulfinate 以 溶剂黄146 为溶剂， 以73%的产率得到N-[4-hydroxy-5-isopropyl-2-methyl-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