diethyl 6-(tert-butylamino)-1,4-dihydro-3-methyl-1-phenylpyrano[2,3-c]pyrazole-4,5-dicarboxylate | 1152427-52-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: diethyl 6-(tert-butylamino)-1,4-dihydro-3-methyl-1-phenylpyrano[2,3-c]pyrazole-4,5-dicarboxylate
• 英文别名: diethyl 6-(tert-butylamino)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-4,5-dicarboxylate
• CAS: 1152427-52-5
• 化学式: C₂₃H₂₉N₃O₅
• 分子量: 427.5
• InChiKey: WULXQFLKLIOWBS-UHFFFAOYSA-N

物化性质

• 沸点：
  538.9±50.0 °C(predicted)
• 密度：
  1.21±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  91.7
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  异氰酸叔丁酯 、 依达拉奉 、 丁炔二酸二乙酯 以 乙腈 为溶剂， 反应 12.0h， 以75%的产率得到diethyl 6-(tert-butylamino)-1,4-dihydro-3-methyl-1-phenylpyrano[2,3-c]pyrazole-4,5-dicarboxylate
  参考文献：
  名称：

  Synthesis of fully substituted pyrano[2,3-c]pyrazole derivatives via a multicomponent reaction of isocyanides

  摘要：

  The three-component reaction of the zwitterions generated from dialkyl acetylenedicarboxylate and isocyanides with 3-methyl-1-phenyl-]H-pyrazol-5(4H)-one is described. The reaction afforded the corresponding special type of fully substituted pyrano[2,3-c]pyrazole derivatives in good yields without using any catalyst and activation. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2009.02.035

文献信息

• A re-engineering approach: synthesis of pyrazolo[1,2-a]pyrazoles and pyrano[2,3-c]pyrazoles via an isocyanide-based four-component reaction under solvent-free conditions
  作者：Ahmad Shaabani、Heshmatollah Sepahvand、Mina Keramati Nejad

  DOI：10.1016/j.tetlet.2016.02.051

  日期：2016.3

  been developed for the efficient synthesis of pyrazolo[1,2-a]pyrazoles and pyrano[2,3-c]pyrazoles via an isocyanide-based four-component reaction of dialkyl acetylenedicarboxylates, isocyanides, and ethyl acetoacetate with hydrazine hydrate or phenylhydrazine. The reactions were carried out under solvent- and catalyst-free conditions at mild temperatures and short times in good yields.

  已开发出一种基于重新设计方法的新方案，用于通过基于异氰化物的四烷基乙酰二羧酸二烷基酯的四组分反应，高效合成吡唑并[1,2- a ]吡唑和吡喃并[2,3- c ]吡唑，异氰化物和乙酰乙酸乙酯与水合肼或苯肼。反应在无溶剂和无催化剂的条件下，在温和的温度和短时间下以良好的收率进行。
• Synthesis of fully substituted pyrano[2,3-c]pyrazole derivatives via a multicomponent reaction of isocyanides
  作者：Ahmad Shaabani、Afshin Sarvary、Ali Hossein Rezayan、Sajjad Keshipour

  DOI：10.1016/j.tet.2009.02.035

  日期：2009.4

  The three-component reaction of the zwitterions generated from dialkyl acetylenedicarboxylate and isocyanides with 3-methyl-1-phenyl-]H-pyrazol-5(4H)-one is described. The reaction afforded the corresponding special type of fully substituted pyrano[2,3-c]pyrazole derivatives in good yields without using any catalyst and activation. (C) 2009 Published by Elsevier Ltd.