N-[4-hydroxy-5-methyl-2-(propan-2-yl)phenyl]-N'-(phenylsulfonyl)benzimidamide | 461672-44-6

• 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-methyl-2-(propan-2-yl)phenyl]-N'-(phenylsulfonyl)benzimidamide
• 英文别名: N'-(benzenesulfonyl)-N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenecarboximidamide
• CAS: 461672-44-6
• 化学式: C₂₃H₂₄N₂O₃S
• 分子量: 408.521
• InChiKey: TXAJJWOPZWKXPC-UHFFFAOYSA-N

物化性质

• 沸点：
  600.1±65.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  87.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[4-hydroxy-5-methyl-2-(propan-2-yl)phenyl]-N'-(phenylsulfonyl)benzimidamide 在 盐酸 、 lead(IV) tetraacetate 作用下， 以 氯仿 、 溶剂黄146 为溶剂， 反应 0.58h， 生成 N-(3-chloro-2-isopropyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-N'-(phenylsulfonyl)benzenecarboximidamide
  参考文献：
  名称：

  Hydrohalogenation of N-[arylsulfonylimino(phenyl)methyl]-1,4-benzoquinone monoimines having alkyl substituents in the quinoid ring

  摘要：

  Hydrohalogenation of N-[arylsulfonylimino(phenyl)methyl]-2,5(3,5)-dimethyl-1,4-benzoquinone monoimines follows exclusively the 1,4-addition pattern, whereas N-[arylsulfonylimino(phenyl)methyl]-2,6-dimethyl-1,4-benzoquinone monoimines take up hydrogen halides according to the 6,3-addition scheme.

  DOI：

  10.1134/s1070428011070116
• 作为产物：
  描述：

  4-氨基-5-异丙基-2-甲基苯酚 、 N-(氯苯基亚甲基)-苯磺酰胺 在 sodium acetate 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 以65%的产率得到N-[4-hydroxy-5-methyl-2-(propan-2-yl)phenyl]-N'-(phenylsulfonyl)benzimidamide
  参考文献：
  名称：

  Halogenation of N-substituted p-quinone monoimines and p-quinone monooxime ethers: XIV. Halogenation of N-[arylsulfonylimino(phenyl)methyl]-2,5-dialkyl-1,4-benzoquinone monoimines and their reduction products

  摘要：

  Despite steric hindrances created by the bulky substituent on the nitrogen atom, halogenation of 2,5-dialkyl-N-[arylsulfonylimino(phenyl)methyl]-1,4-benzoquinone monoimines fairly readily gives their derivatives having two halogen atoms in the quinoid ring.

  DOI：

  10.1134/s107042801207007x

文献信息

• Halogenation of N-substituted p-quinone monoimines and p-quinone monooxime ethers: XIV. Halogenation of N-[arylsulfonylimino(phenyl)methyl]-2,5-dialkyl-1,4-benzoquinone monoimines and their reduction products
  作者：A. P. Avdeenko、S. A. Konovalova、O. P. Ledeneva、A. A. Santalova、V. V. Pirozhenko、G. V. Palamarchuk、O. V. Shishkin

  DOI：10.1134/s107042801207007x

  日期：2012.7

  Despite steric hindrances created by the bulky substituent on the nitrogen atom, halogenation of 2,5-dialkyl-N-[arylsulfonylimino(phenyl)methyl]-1,4-benzoquinone monoimines fairly readily gives their derivatives having two halogen atoms in the quinoid ring.
• Hydrohalogenation of N-[arylsulfonylimino(phenyl)methyl]-1,4-benzoquinone monoimines having alkyl substituents in the quinoid ring
  作者：A. P. Avdeenko、S. A. Konovalova、V. V. Pirozhenko、O. P. Ledeneva、A. A. Santalova

  DOI：10.1134/s1070428011070116

  日期：2011.7

  Hydrohalogenation of N-[arylsulfonylimino(phenyl)methyl]-2,5(3,5)-dimethyl-1,4-benzoquinone monoimines follows exclusively the 1,4-addition pattern, whereas N-[arylsulfonylimino(phenyl)methyl]-2,6-dimethyl-1,4-benzoquinone monoimines take up hydrogen halides according to the 6,3-addition scheme.