3,4,6-triphenyl-3,4-dihydro-1H-pyrimidin-2-one | 34954-20-6

• 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: 3,4,6-triphenyl-3,4-dihydro-1H-pyrimidin-2-one
• 英文别名: 3.4.5-Triphenyl-2-oxo-1.2.3.4-tetrahydro-pyrimidin；2-Oxo-3.4.6-triphenyl-tetrahydropyrimidin；2-Oxo-3,4,6-triphenyl-1,2,3,4-tetrahydropyrimidine；3,4,6-triphenyl-1,4-dihydropyrimidin-2-one
• CAS: 34954-20-6
• 化学式: C₂₂H₁₈N₂O
• 分子量: 326.398
• InChiKey: JHAOWFQLUAXXSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  甲基膦酸二乙酯 、 苯甲醛 、 异氰酸苯酯 、 苯甲腈 以20%的产率得到1,3,6-triphenyl-6-[(E)-2-phenylethenyl]-1,3,5-triazinane-2,4-dione
  参考文献：
  名称：

  A Multicomponent Synthesis of Triazinane Diones

  摘要：

  An efficient, one-pot synthetic protocol toward triazinane diones, a rather Unexplored class of heterocyclic scaffolds combining phosphonates, nitrites, aldehydes, and isocyanates is described. The optimization of the reaction, synthesis of a small library of different triazinane diones, as well as alternative routes toward the triazinane dione scaffold are discussed.

  DOI：

  10.1021/jo701973d

文献信息

• A Multicomponent Synthesis of Triazinane Diones
  作者：Bas Groenendaal、Danielle J. Vugts、Rob F. Schmitz、Frans J. J. de Kanter、Eelco Ruijter、Marinus B. Groen、Romano V. A. Orru

  DOI：10.1021/jo701973d

  日期：2008.1.1

  An efficient, one-pot synthetic protocol toward triazinane diones, a rather Unexplored class of heterocyclic scaffolds combining phosphonates, nitrites, aldehydes, and isocyanates is described. The optimization of the reaction, synthesis of a small library of different triazinane diones, as well as alternative routes toward the triazinane dione scaffold are discussed.