3-(1,3-dimethyl-2,4,6-pyrimidinetrion-5-yl)-5-(4-oxo-4H-1-benzopyran-3-yl)pyrazole | 1240050-27-4

• 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: 3-(1,3-dimethyl-2,4,6-pyrimidinetrion-5-yl)-5-(4-oxo-4H-1-benzopyran-3-yl)pyrazole
• 英文别名: 1,3-dimethyl-5-[3-(4-oxochromen-3-yl)-1H-pyrazol-5-yl]-1,3-diazinane-2,4,6-trione
• CAS: 1240050-27-4
• 化学式: C₁₈H₁₄N₄O₅
• 分子量: 366.333
• InChiKey: AKPYHRFFTKVUQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-乙酰基-1,3-二甲基巴比妥酸 在 吡啶 、 溴 、 一水合肼 作用下， 以 氯仿 为溶剂， 反应 0.48h， 生成 3-(1,3-dimethyl-2,4,6-pyrimidinetrion-5-yl)-5-(4-oxo-4H-1-benzopyran-3-yl)pyrazole
  参考文献：
  名称：

  Microwave-assisted solvent-free synthesis of biologically active novel heterocycles from 3-formylchromones

  摘要：

  A series of novel chromone derivatives have been synthesized employing 3-formylchromones and 5-acetyl-1,3-dimethylbarbituric acid as starting materials both under conventional heating method and microwave irradiation technique in good yields. The synthesized compounds were screened in vitro antibacterial activity against the representative panel of two Gram-positive bacteria and two Gram-negative bacteria. The synthesized compounds were also tested for their inhibitory action against three strains of fungus. The various compounds show potent inhibitory action against test organisms.

  DOI：

  10.1007/s00044-010-9386-2

文献信息

• Microwave-assisted solvent-free synthesis of biologically active novel heterocycles from 3-formylchromones
  作者：T. N. Mohammed Musthafa、Zeba N. Siddiqui、Fohad M. Husain、Iqbal Ahmad

  DOI：10.1007/s00044-010-9386-2

  日期：2011.12

  A series of novel chromone derivatives have been synthesized employing 3-formylchromones and 5-acetyl-1,3-dimethylbarbituric acid as starting materials both under conventional heating method and microwave irradiation technique in good yields. The synthesized compounds were screened in vitro antibacterial activity against the representative panel of two Gram-positive bacteria and two Gram-negative bacteria. The synthesized compounds were also tested for their inhibitory action against three strains of fungus. The various compounds show potent inhibitory action against test organisms.