1,2-dihydro-6-(4-hydroxy-5-isopropyl-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-2-oxopyridine-3-carbonitrile | 1315250-55-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1,2-dihydro-6-(4-hydroxy-5-isopropyl-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-2-oxopyridine-3-carbonitrile
• 英文别名: 6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile
• CAS: 1315250-55-5
• 化学式: C₂₅H₂₆N₂O₅
• 分子量: 434.492
• InChiKey: ZMACARYKGLPEEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  乙酸瑞香[草]酯 在 aluminum (III) chloride 、 ammonium acetate 作用下， 以 乙醇 、 硝基苯 为溶剂， 生成 1,2-dihydro-6-(4-hydroxy-5-isopropyl-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-2-oxopyridine-3-carbonitrile
  参考文献：
  名称：

  Synthesis and evaluation of antioxidant and antimicrobial properties of thymol containing pyridone moieties

  摘要：

  Various derivatives of 1,2-dihydro-6-(4-hydroxy-5-isopropyl-2-methylphenyl)-2-oxo-4-arylpyridine-3-carbonitrile (IVa-m) were synthesized and characterized. Their antioxidant and antimicrobial properties were evaluated by measuring their activity in vitro. Among the newly synthesized derivatives IVg, IVh, IVi, IVj, IVk, IVl, and IVm showed good antioxidant activity. However, all derivatives show better antibacterial and antifungal properties than that of parent thymol. The probable mechanism, particularly for antioxidant properties of these compounds is proposed.

  DOI：

  10.1007/s00044-011-9656-7

文献信息

• Synthesis and evaluation of antioxidant and antimicrobial properties of thymol containing pyridone moieties
  作者：P. S. Nagle、Y. A. Pawar、A. E. Sonawane、S. M. Bhosale、D. H. More

  DOI：10.1007/s00044-011-9656-7

  日期：2012.7

  Various derivatives of 1,2-dihydro-6-(4-hydroxy-5-isopropyl-2-methylphenyl)-2-oxo-4-arylpyridine-3-carbonitrile (IVa-m) were synthesized and characterized. Their antioxidant and antimicrobial properties were evaluated by measuring their activity in vitro. Among the newly synthesized derivatives IVg, IVh, IVi, IVj, IVk, IVl, and IVm showed good antioxidant activity. However, all derivatives show better antibacterial and antifungal properties than that of parent thymol. The probable mechanism, particularly for antioxidant properties of these compounds is proposed.