6-amino-3-isopropyl-4-(4-nitrophenyl)-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | 1351767-89-9

• 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-3-isopropyl-4-(4-nitrophenyl)-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• 英文别名: 6-amino-4-(4-nitrophenyl)-1-phenyl-3-propan-2-yl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
• CAS: 1351767-89-9
• 化学式: C₂₂H₁₉N₅O₃
• 分子量: 401.425
• InChiKey: RBEHMCYJSWWZRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  30
• 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：
  123
• 氢给体数：
  1
• 氢受体数：
  6

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-3-isopropyl-4-(4-nitrophenyl)-1-phenyl-1,4-dihydropyrano[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

• A Catalyst-free Green Protocol for the Synthesis of Pyranopyrazoles Using Room Temperature Ionic Liquid Choline Chloride-urea
  作者：Toreshettahally R. Swaroop、Kothanahally S. Sharath Kumar、Mariyappan Palanivelu、Somu Chaitanya、Kanchugarakoppal S. Rangappa

  DOI：10.1002/jhet.1864

  日期：2014.11

  efficient and rapid four component reaction of aldehydes, malanonitrile, β‐ketoesters and hydrazine hydrate (or phenyl hydrazine) in environmentally benign room temperature ionic liquid choline chloride‐urea has been developed for the synthesis of substituted 4H‐pyrano[2,3‐c]pyrazoles.

  已开发出在环境友好的室温离子液体氯化胆碱-尿素中进行醛，丙二腈，β-酮酸酯和水合肼（或苯肼）的快速高效的四组分反应，用于合成取代的4 H-吡喃[2,3] ‐c]吡唑类。
• 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.