N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methoxybenzenesulfonamide | 75531-59-8

• 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-di(propan-2-yl)phenyl]-4-methoxybenzenesulfonamide
• CAS: 75531-59-8
• 化学式: C₁₉H₂₅NO₄S
• 分子量: 363.478
• InChiKey: BJANVSFKUSJUCI-UHFFFAOYSA-N

物化性质

• 沸点：
  484.3±55.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  84
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methoxybenzenesulfonamide 在 lead(IV) acetate 作用下， 以 溶剂黄146 为溶剂， 以34%的产率得到4-methoxy-N-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]benzenesulfonamide
  参考文献：
  名称：

  Synthesis and¹³C NMR Spectra of N-Substituted p-Quinonimines: III. N-Arylthio- and N-Arylsulfonyl-1,4-benzoquinonimines with Enhanced Electron-donor Character of Quinoid Ring

  摘要：

  Incorporation of alkyl substituents into quinonimine fragments of N-arylthio- and N-arylsulfonyl-1,4-benzoquinonimines results in virtually equal changes in the chemical shifts of the carbon atoms from this fragment compared to those of unsubstituted and chloroderivatives. The substituents in the benzene ring also similarly affect the spectra of both groups of alkyl-substituted compounds. The pattern observed is due to the lack of a unique conjugation system, and the alterations revealed in the spectra might be caused by the changes in the geometry of the molecules.

  DOI：

  10.1023/b:rujo.0000045891.38918.40
• 作为产物：
  描述：

  4-Amino-2,6-diisopropyl-phenol 、 对甲氧基苯磺酰氯 在 碳酸氢钠 作用下， 生成 N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methoxybenzenesulfonamide
  参考文献：
  名称：

  Synthesis and¹³C NMR Spectra of N-Substituted p-Quinonimines: III. N-Arylthio- and N-Arylsulfonyl-1,4-benzoquinonimines with Enhanced Electron-donor Character of Quinoid Ring

  摘要：

  Incorporation of alkyl substituents into quinonimine fragments of N-arylthio- and N-arylsulfonyl-1,4-benzoquinonimines results in virtually equal changes in the chemical shifts of the carbon atoms from this fragment compared to those of unsubstituted and chloroderivatives. The substituents in the benzene ring also similarly affect the spectra of both groups of alkyl-substituted compounds. The pattern observed is due to the lack of a unique conjugation system, and the alterations revealed in the spectra might be caused by the changes in the geometry of the molecules.

  DOI：

  10.1023/b:rujo.0000045891.38918.40

文献信息

• Burmistrov, K. S.; Burmistrov, S. I., Journal of Organic Chemistry USSR (English Translation), 1980, vol. 16, # 7, p. 1279 - 1284
  作者：Burmistrov, K. S.、Burmistrov, S. I.

  DOI：——

  日期：——
• Synthesis and¹³C NMR Spectra of N-Substituted p-Quinonimines: III. N-Arylthio- and N-Arylsulfonyl-1,4-benzoquinonimines with Enhanced Electron-donor Character of Quinoid Ring
  作者：V. V. Pirozhenko、A. P. Avdeenko、A. L. Yusina、S.A. Konovalova

  DOI：10.1023/b:rujo.0000045891.38918.40

  日期：2004.8

  Incorporation of alkyl substituents into quinonimine fragments of N-arylthio- and N-arylsulfonyl-1,4-benzoquinonimines results in virtually equal changes in the chemical shifts of the carbon atoms from this fragment compared to those of unsubstituted and chloroderivatives. The substituents in the benzene ring also similarly affect the spectra of both groups of alkyl-substituted compounds. The pattern observed is due to the lack of a unique conjugation system, and the alterations revealed in the spectra might be caused by the changes in the geometry of the molecules.