6-amino-4-(4-chlorophenyl)-3-isopropyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide | 1208986-26-8

• 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-chlorophenyl)-3-isopropyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide
• 英文别名: 6-amino-4-(4-chlorophenyl)-1-phenyl-3-propan-2-yl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
• CAS: 1208986-26-8
• 化学式: C₂₂H₁₉ClN₄O
• 分子量: 390.872
• InChiKey: HFADIRVORMHGTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  76.9
• 氢给体数：
  1
• 氢受体数：
  4

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 0.16h， 生成 6-amino-4-(4-chlorophenyl)-3-isopropyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide
  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

• Three-Component Reaction to Form 1,4-Dihydropyrano[2,3-<i>c</i>]pyrazol-5-yl Cyanides
  作者：Hassan Sheibani、Maryam Babaie

  DOI：10.1080/00397910902964866

  日期：2009.12.30

  The three-component reactions of 3-alkyl-1-phenyl-2-pyrazolin-5-ones, aryl aldehydes, and malononitrile in the presence of base catalysts such as sodium acetate, triethylamine, and magnesium oxide (MgO) are investigated. Magnesium oxide (MgO) effectively catalyzes these reactions to form 1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide derivatives. The salient features of this method include high conversions, short reaction times, cleaner reaction profiles, and the use of inexpensive and readily available catalyst.
• 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.