4-(4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl)pyridin-3-ol | 1616763-20-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl)pyridin-3-ol
• 英文别名: 4-[4-(4-Fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]pyridin-3-ol
• CAS: 1616763-20-2
• 化学式: C₂₀H₁₃FN₄O
• 分子量: 344.348
• InChiKey: PXUAKNUMRXQZHT-UHFFFAOYSA-N

物化性质

• 熔点：
  257-259 °C
• 沸点：
  663.5±65.0 °C(predicted)
• 密度：
  1.320±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  sodium (3-bromoisonicotinoyl)(4-fluorobenzoyl)amide 、 苯甲脒 以 二甲基亚砜 为溶剂， 反应 0.5h， 以47%的产率得到4-(4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl)pyridin-3-ol
  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