2-ethyl-5,6-dimethyl-3,7-dihydro-7-phenyl-4H-pyrrolo<2,3-d>pyrimidin-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-ethyl-5,6-dimethyl-3,7-dihydro-7-phenyl-4H-pyrrolo<2,3-d>pyrimidin-4-one
• 英文别名: 2-ethyl-5,6-dimethyl-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one；2-ethyl-5,6-dimethyl-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
• 化学式: C₁₆H₁₇N₃O
• 分子量: 267.33
• InChiKey: AMOLSLFSZGINFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  46.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-ethyl-5,6-dimethyl-3,7-dihydro-7-phenyl-4H-pyrrolo<2,3-d>pyrimidin-4-one 在 三氯氧磷 作用下， 反应 2.0h， 以88%的产率得到4-Chloro-2-ethyl-5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidine
  参考文献：
  名称：

  Preparation of Heteroarenecarbonitriles by Reaction of Haloheteroarenes with Potassium Cyanide Catalyzed by Sodium p-Toluenesulfinate

  摘要：

  Several heteroarenecarbonitriles were prepared by reaction of haloheteroarenes with potassium cyanide catalyzed by sodium p-toluenesulfinate (1) or sodium methanesulfinate (2). In the reaction pathway, the cyanation proceeds through the formation of the sulfonylheteroarenes.

  DOI：

  10.3987/com-94-s(b)38
• 作为产物：
  描述：

  2-氨基-4,5-二甲基-1-苯基吡咯-3-甲酰胺 、 丙酸乙酯 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以96%的产率得到2-ethyl-5,6-dimethyl-3,7-dihydro-7-phenyl-4H-pyrrolo<2,3-d>pyrimidin-4-one
  参考文献：
  名称：

  Preparation of Heteroarenecarbonitriles by Reaction of Haloheteroarenes with Potassium Cyanide Catalyzed by Sodium p-Toluenesulfinate

  摘要：

  Several heteroarenecarbonitriles were prepared by reaction of haloheteroarenes with potassium cyanide catalyzed by sodium p-toluenesulfinate (1) or sodium methanesulfinate (2). In the reaction pathway, the cyanation proceeds through the formation of the sulfonylheteroarenes.

  DOI：

  10.3987/com-94-s(b)38

文献信息

• Rapid and Efficient, Microwave-Assisted, Base-Catalyzed Synthesis of Some Novel 2,7-Disubstituted Pyrrolopyrimidinones
  作者：Murty Deverakonda、Raghu Prasad Mailavaram、Pran Kishore Deb、Narsaiah Banda、Girija Sastry Vedula

  DOI：10.1080/00397911.2011.576324

  日期：2012.11

  A rapid synthesis of a series of new 5,6-dimethyl-7-phenyl-2-alkyl-3,7-dihydro-4-H-pyrrolo[2,3-d]pyrimidinones and 5,6-dimethyl-7-benzyl-2-alkyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidinones was accomplished in good yields using microwave irradiation under base catalysis.