5-acetyl-2-amino-4-(3-hydroxyphenyl)-6-methyl-4H-pyran-3-carbonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-acetyl-2-amino-4-(3-hydroxyphenyl)-6-methyl-4H-pyran-3-carbonitrile
• 化学式: C₁₅H₁₄N₂O₃
• 分子量: 270.288
• InChiKey: JGWLCQJUTHXFIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  96.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  间羟基苯甲醛 、 乙酰丙酮 、 丙二腈 在 乙醇 、 lithium perchlorate 作用下， 反应 3.5h， 以87%的产率得到5-acetyl-2-amino-4-(3-hydroxyphenyl)-6-methyl-4H-pyran-3-carbonitrile
  参考文献：
  名称：

  Efficient Three-Component One-Pot Synthesis of 4H-Pyrans

  摘要：

  Clean, practical, and efficient electrochemical synthesis of pharmaceutically relevant 4H-pyran derivatives by one-pot three-component combination of an aryl aldehyde, malononitrile, and a dicarbonyl compoundis developed. The synthesis is performed in ethanol with lithium perchlorate as a supporting electrolyte in an undivided cell on a platinum electrode under constant potential electrolysis conditions.

  DOI：

  10.1134/s1070428019050178

文献信息

• Efficient Three-Component One-Pot Synthesis of 4H-Pyrans
  作者：J. Malviya、S. Kala、L. K. Sharma、R. K. P. Singh

  DOI：10.1134/s1070428019050178

  日期：2019.5

  Clean, practical, and efficient electrochemical synthesis of pharmaceutically relevant 4H-pyran derivatives by one-pot three-component combination of an aryl aldehyde, malononitrile, and a dicarbonyl compoundis developed. The synthesis is performed in ethanol with lithium perchlorate as a supporting electrolyte in an undivided cell on a platinum electrode under constant potential electrolysis conditions.