5-hydroxy-2-phenylpyrano[2,3-d][1,3]oxazine-4,7-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 5-hydroxy-2-phenylpyrano[2,3-d][1,3]oxazine-4,7-dione
• 英文别名: 5-Hydroxy-2-phenylpyrano[2,3-d][1,3]oxazine-4,7-dione
• 化学式: C₁₃H₇NO₅
• 分子量: 257.202
• InChiKey: VJKPWQBARFWTCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  85.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  苯甲酰胺 、 丙二酰氯 以 四氢呋喃 为溶剂， 反应 18.0h， 以67%的产率得到5-hydroxy-2-phenylpyrano[2,3-d][1,3]oxazine-4,7-dione
  参考文献：
  名称：

  Synthesis of New 2-Substituted 5-Hydroxypyrano[2,3-d][1,3]oxazine-4,7-diones

  摘要：

  The reaction of carboxylic acid amides with malonyl chloride in acetonitrile or tetrahydrofuran without heating leads to the formation of previously unknown 2-substituted 5-hydroxypyrano[2,3-d][1,3]oxazines. The structure of the obtained compounds was established by high resolution mass spectrometry, NMR spectroscopy, and X-ray analysis.

  DOI：

  10.1134/s1070363220040325

文献信息

• Synthesis of New 2-Substituted 5-Hydroxypyrano[2,3-d][1,3]oxazine-4,7-diones
  作者：V. O. Komissarov、N. M. Chernov、G. L. Starova、T. L. Semakova、G. V. Ksenofontova、V. E. Zakhs、I. P. Yakovlev

  DOI：10.1134/s1070363220040325

  日期：2020.4

  The reaction of carboxylic acid amides with malonyl chloride in acetonitrile or tetrahydrofuran without heating leads to the formation of previously unknown 2-substituted 5-hydroxypyrano[2,3-d][1,3]oxazines. The structure of the obtained compounds was established by high resolution mass spectrometry, NMR spectroscopy, and X-ray analysis.