5-Ethyl-3-furan-2-yl-1-(4-oxo-4,5-dihydro-thiazol-2-yl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione | 557785-05-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 5-Ethyl-3-furan-2-yl-1-(4-oxo-4,5-dihydro-thiazol-2-yl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione
• CAS: 557785-05-4
• 化学式: C₁₄H₁₂N₄O₄S
• 分子量: 332.34
• InChiKey: JKQPZNFPAVIOAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  95.55
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  5-Ethyl-3-furan-2-yl-1-(4-oxo-4,5-dihydro-thiazol-2-yl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione 在 硝基苯 作用下， 反应 3.0h， 以78%的产率得到5-Ethyl-3-furan-2-yl-1-(4-oxo-4,5-dihydro-thiazol-2-yl)-1H-pyrrolo[3,4-c]pyrazole-4,6-dione
  参考文献：
  名称：

  Dipolar Cycloaddition Reactions with Thiazolonylhydrazones: A New Route for the Synthesis of Several New Thienyl- and Furyl-Thiazolonylpyrrolopyrazole Derivatives of Expected Biological Activities

  摘要：

  Several new pyrrolopyrazoles were synthesized via the reactions of each of 2-thiophenecarboxaldehyde thiazolonylhydrazone or 2-furaldehyde thiazolonylhydrazone with N-substituted maleimides followed by partial dehydogenation using bromobenzene and complete aromatization using nitrobenzene. Structures were established on the basis of elemental analyses and spectroscopic data studies.

  DOI：

  10.1080/10426500307918
• 作为产物：
  描述：

  N-乙基马来酰亚胺 在 溴苯 作用下， 以 溶剂黄146 为溶剂， 反应 7.0h， 生成 5-Ethyl-3-furan-2-yl-1-(4-oxo-4,5-dihydro-thiazol-2-yl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione
  参考文献：
  名称：

  Dipolar Cycloaddition Reactions with Thiazolonylhydrazones: A New Route for the Synthesis of Several New Thienyl- and Furyl-Thiazolonylpyrrolopyrazole Derivatives of Expected Biological Activities

  摘要：

  Several new pyrrolopyrazoles were synthesized via the reactions of each of 2-thiophenecarboxaldehyde thiazolonylhydrazone or 2-furaldehyde thiazolonylhydrazone with N-substituted maleimides followed by partial dehydogenation using bromobenzene and complete aromatization using nitrobenzene. Structures were established on the basis of elemental analyses and spectroscopic data studies.

  DOI：

  10.1080/10426500307918