1-phenyl-5-(4-oxo-4H-1-benzopyran-3-yl)-3-(2,4,6-pyrimidinetrione-5-yl)pyrazoline | 1354823-65-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 1-phenyl-5-(4-oxo-4H-1-benzopyran-3-yl)-3-(2,4,6-pyrimidinetrione-5-yl)pyrazoline
• CAS: 1354823-65-6
• 化学式: C₂₂H₁₆N₄O₅
• 分子量: 416.393
• InChiKey: GBQNZOLTKDFHCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.08
• 重原子数：
  31.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  121.08
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  5-乙酰基-2,4,6(1H,3H,5H)-嘧啶三酮 在 吡啶 作用下， 生成 1-phenyl-5-(4-oxo-4H-1-benzopyran-3-yl)-3-(2,4,6-pyrimidinetrione-5-yl)pyrazoline
  参考文献：
  名称：

  Thermal solvent-free synthesis of chromonyl chalcones, pyrazolines and their in vitro antibacterial, antifungal activities

  摘要：

  A facile and ecofriendly synthesis of new chromonyl chalcones 3a-b from 3-formylchromone 1 and active methyl compounds 2a-b is reported under thermal solvent-free heating condition in good yields. The chromonyl chalcones 3a-b were used as intermediates under green condition for the synthesis of new bioactive pyrazoline derivatives 4a-f. The compounds were tested for antimicrobial activity by disk diffusion assay with slight modifications against Gram-positive, Gram-negative strains of bacteria as well as fungal strains. The investigation of antimicrobial screening revealed that compounds 3a-b and 4a-f showed antibacterial and antifungal activities.

  DOI：

  10.3109/14756366.2011.577035