3-(4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl)pyridin-2(1H)-one | 1616763-41-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl)pyridin-2(1H)-one
• 英文别名: 3-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1H-pyridin-2-one
• CAS: 1616763-41-7
• 化学式: C₂₁H₁₆N₄O₂
• 分子量: 356.384
• InChiKey: CNAJESVVNLTJPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  77
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氯烟酰胺 在 sodium hydride 作用下， 以 四氢呋喃 、 乙腈 、 mineral oil 为溶剂， 反应 1.5h， 生成 3-(4-(4-methoxyphenyl)-6-phenyl-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

文献信息

• Access to Pyridyl-Substituted 1,3,5-Triazines from 4<i>H</i>-Pyrido[1,3]oxazin-4-ones via a Cyclocondensation Process
  作者：Laetitia Le Falher、Omar Ben Ayad、Ozge Ziyaret、Alexander Mamontov、Candice Botuha、Serge Thorimbert、Franck Slowinski

  DOI：10.1021/jo5010668

  日期：2014.7.18

  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.