3-(2-aminopyrimidin-4-yl)-5,5-dimethyl-4-phenylfuran-2(5H)-one | 1373648-55-5

• 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-(2-aminopyrimidin-4-yl)-5,5-dimethyl-4-phenylfuran-2(5H)-one
• 英文别名: 3-(2-Aminopyrimidin-4-yl)-5,5-dimethyl-4-phenylfuran-2-one
• CAS: 1373648-55-5
• 化学式: C₁₆H₁₅N₃O₂
• 分子量: 281.314
• InChiKey: QGZSNVAIFMHGGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  78.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-acetyl-4-phenyl-5,5-dimethylbutenolide 在 sodium ethanolate 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 乙醇 为溶剂， 反应 6.5h， 生成 3-(2-aminopyrimidin-4-yl)-5,5-dimethyl-4-phenylfuran-2(5H)-one
  参考文献：
  名称：

  Synthesis of Some Heterocyclic Compounds from Enamines of 3-Acetylfuran-2(5 H)-ones

  摘要：

  The interaction of different 3-acetylfuran-2(5H)-ones (1, 4) with dimethylformamide dimethyl acetal (DMF/DMA) has been investigated, and the condensed furopyridine system 3 was obtained. By means of interaction of compounds 4 and DMF/DMA via the 3-acetylfuran-2(5H)-one enamines, the heterocyclic substituted furanones are obtained. The condensation of 3-acetyl-4,5,5-trimethylfuran-2(5H)-one (1a) with veratraldehyde was realized. Through the interaction of 1a with malononitrile and further intramolecular condensation of the product, 6-amino-dihydroisobenzofuran-5-carbonitrile was also synthesized.

  DOI：

  10.1080/00397911.2011.555591

文献信息

• Synthesis of Some Heterocyclic Compounds from Enamines of 3-Acetylfuran-2(5 H)-ones
  作者：Gagik S. Melikyan、Anna A. Hovhannisyan、Sargis S. Hayotsyan

  DOI：10.1080/00397911.2011.555591

  日期：2012.8.1

  The interaction of different 3-acetylfuran-2(5H)-ones (1, 4) with dimethylformamide dimethyl acetal (DMF/DMA) has been investigated, and the condensed furopyridine system 3 was obtained. By means of interaction of compounds 4 and DMF/DMA via the 3-acetylfuran-2(5H)-one enamines, the heterocyclic substituted furanones are obtained. The condensation of 3-acetyl-4,5,5-trimethylfuran-2(5H)-one (1a) with veratraldehyde was realized. Through the interaction of 1a with malononitrile and further intramolecular condensation of the product, 6-amino-dihydroisobenzofuran-5-carbonitrile was also synthesized.