6-amino-4-(4-methoxyphenyl)-1-phenyl-3-propan-2-yl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile | 1351767-86-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 6-amino-4-(4-methoxyphenyl)-1-phenyl-3-propan-2-yl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
• CAS: 1351767-86-6
• 化学式: C₂₃H₂₂N₄O₂
• 分子量: 386.453
• InChiKey: NASQZCIKKGDHCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  86.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  异丁酰醋酸甲酯 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 0.2h， 生成 6-amino-4-(4-methoxyphenyl)-1-phenyl-3-propan-2-yl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
  参考文献：
  名称：

  An Efficient Four-Component Synthesis of Multisubstituted Pyrano[2,3-c]pyrazole

  摘要：

  A series of substituted pyrano[2,3-c]pyrazole derivatives were synthesized by a one-pot reaction of methyl 4-methyl-3-oxovalerate, phenylhydrazine, aromatic aldehyde, and malononitrile in ethanol with catalysis by triethylamine. The title compounds were obtained in good to excellent yields. A possible mechanism for this reaction was proposed.

  DOI：

  10.1080/00397911.2010.551169

文献信息

• An Efficient Four-Component Synthesis of Multisubstituted Pyrano[2,3-c]pyrazole
  作者：Keyume Ablajan、Zulipiya Maimaiti

  DOI：10.1080/00397911.2010.551169

  日期：2012.7.1

  A series of substituted pyrano[2,3-c]pyrazole derivatives were synthesized by a one-pot reaction of methyl 4-methyl-3-oxovalerate, phenylhydrazine, aromatic aldehyde, and malononitrile in ethanol with catalysis by triethylamine. The title compounds were obtained in good to excellent yields. A possible mechanism for this reaction was proposed.