N-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl]-2-hydroxybenzamide | 1001198-61-3

• 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-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl]-2-hydroxybenzamide
• 英文别名: 2-hydroxybenzoic acid N-[3-(4-hydroxy-3,5-di-tert-butylphenyl)prop-1-yl]amide；N-[3-(3,5-di-t-butyl-4-hydroxyphenyl)propyl]-2-hydroxybenzamide；N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-hydroxybenzamide
• CAS: 1001198-61-3
• 化学式: C₂₄H₃₃NO₃
• 分子量: 383.531
• InChiKey: XFRFITYNXHMUHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  69.6
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-(3-氨基丙基)-2,6-二-叔丁基苯酚 、 水杨酸苯酯 反应 0.67h， 以1.15 g的产率得到N-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl]-2-hydroxybenzamide
  参考文献：
  名称：

  Synthesis, structure, and antioxidant activity of hybrid N-substituted salicylic acid amides

  摘要：

  Sterically hindered phenols, 3-tert-butyl-N-(3,5-di-tert-butyl-4-hydroxyphenyl)-5-ethyl-2-hydroxybenzamide and N-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl]-2-hydroxybenzamide, were synthesized as potential antioxidants, and the formation of hydrogen bonds by their molecules was shown by UV and IR spectroscopy.

  DOI：

  10.1134/s1070428013070129

文献信息

• Synthesis, structure, and antioxidant activity of hybrid N-substituted salicylic acid amides
  作者：N. M. Storozhok、N. P. Medyanik、A. P. Krysin、S. A. Krekov、V. E. Borisenko

  DOI：10.1134/s1070428013070129

  日期：2013.7

  Sterically hindered phenols, 3-tert-butyl-N-(3,5-di-tert-butyl-4-hydroxyphenyl)-5-ethyl-2-hydroxybenzamide and N-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl]-2-hydroxybenzamide, were synthesized as potential antioxidants, and the formation of hydrogen bonds by their molecules was shown by UV and IR spectroscopy.