5-carbamoyl-1,3,6-trimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine | 95928-45-3

• 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: 5-carbamoyl-1,3,6-trimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine
• 英文别名: 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxamide
• CAS: 95928-45-3
• 化学式: C₁₄H₁₇N₃O₂
• 分子量: 259.308
• InChiKey: GNMCWHIKQJIUHJ-UHFFFAOYSA-N

物化性质

• 熔点：
  204-208 °C(Solv: hexane (110-54-3))
• 沸点：
  453.3±45.0 °C(Predicted)
• 密度：
  1.195±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  66.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-carbamoyl-1,3,6-trimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine 在 [双(三氟乙酰氧基)碘]苯 、 水 、 sodium carbonate 作用下， 以 二氯甲烷 为溶剂， 以23%的产率得到1,3-dimethyl-4-phenyl-4,7-dihydro-1H,3H-furo[3,4-d]pyrimidine-2,5-dione
  参考文献：
  名称：

  An Intramolecular PIFA-Mediated Metal-Free Allylic Oxycarbonylation Reaction and Its Application to the Preparation of Furopyrimidinones

  摘要：

  The preparation of a series of furo[3,4-d]pyrimidinones by an unprecedented PIFA-mediated intramolecular allylic oxycarbonylation reaction developed on 5-carbamoyl-substituted Biginelli adducts is presented The construction of the fused lactone by a metal-free C-H activation process, without the need of an additional functionalization step, is featured in the present work

  DOI：

  10.1021/jo101797s
• 作为产物：
  描述：

  乙酰乙酰胺 、 1,3-二甲基脲 、 苯甲醛 在 氯乙酸 作用下， 以23%的产率得到5-carbamoyl-1,3,6-trimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine
  参考文献：
  名称：

  An Intramolecular PIFA-Mediated Metal-Free Allylic Oxycarbonylation Reaction and Its Application to the Preparation of Furopyrimidinones

  摘要：

  The preparation of a series of furo[3,4-d]pyrimidinones by an unprecedented PIFA-mediated intramolecular allylic oxycarbonylation reaction developed on 5-carbamoyl-substituted Biginelli adducts is presented The construction of the fused lactone by a metal-free C-H activation process, without the need of an additional functionalization step, is featured in the present work

  DOI：

  10.1021/jo101797s

文献信息

• An Intramolecular PIFA-Mediated Metal-Free Allylic Oxycarbonylation Reaction and Its Application to the Preparation of Furopyrimidinones
  作者：Irantzu Couto、Imanol Tellitu、Esther Domínguez

  DOI：10.1021/jo101797s

  日期：2010.11.19

  The preparation of a series of furo[3,4-d]pyrimidinones by an unprecedented PIFA-mediated intramolecular allylic oxycarbonylation reaction developed on 5-carbamoyl-substituted Biginelli adducts is presented The construction of the fused lactone by a metal-free C-H activation process, without the need of an additional functionalization step, is featured in the present work