3-(4-phenyl-6-(thiophen-2-yl)-1,3,5-triazin-2-yl)pyridin-2(1H)-one | 1616763-44-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-(4-phenyl-6-(thiophen-2-yl)-1,3,5-triazin-2-yl)pyridin-2(1H)-one
• CAS: 1616763-44-0
• 化学式: C₁₈H₁₂N₄OS
• 分子量: 332.385
• InChiKey: QHEURYHFMHDEGZ-UHFFFAOYSA-N

物化性质

• 熔点：
  235-237 °C
• 密度：
  1.343±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.62
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.53
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  sodium (2-chloronicotinoyl)(thiophene-2-carbonyl)amide 以 乙醇 、 二甲基亚砜 为溶剂， 反应 0.5h， 生成 3-(4-phenyl-6-(thiophen-2-yl)-1,3,5-triazin-2-yl)pyridin-2(1H)-one
  参考文献：
  名称：

  Access to Pyridyl-Substituted 1,3,5-Triazines from 4H-Pyrido[1,3]oxazin-4-ones via a Cyclocondensation Process

  摘要：

  Pyridyl-substituted 1,3,5-triazines were synthesized in good to excellent yields via an unprecedented one-step cyclocondensation of 4H-pyrido[1,3]oxazin-4-ones with amidines at room temperature or under microwave irradiations. The broad applicability was demonstrated by 33 examples with a variety of amidines and three different 4H-pyrido[1,3]oxazin-4-one chemical series. In addition, a one-pot process from 4H-pyrido[1,3]oxazin-4-one precursors (imide sodium salts) was developed and led to the desired triazines compounds, thus allowing a one-step economy in their global synthetic preparation. This approach provides rapid access to pyridyl (or pyridone)-substituted 1,3,5-triazines with high potential in various fields of application.

  DOI：

  10.1021/jo5010668