5-(4-Chloro-phenyl)-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 | 557785-03-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 5-(4-Chloro-phenyl)-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: 557785-03-2
• 化学式: C₁₈H₁₁ClN₄O₄S
• 分子量: 414.829
• InChiKey: CZOGWKAQRBPDCY-UHFFFAOYSA-N

物化性质

• 沸点：
  691.6±65.0 °C(Predicted)
• 密度：
  1.78±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.14
• 重原子数：
  28.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 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-(4-Chloro-phenyl)-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77%的产率得到5-(4-Chloro-phenyl)-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：

  1-(4-氯苯基)-1H-吡咯-2,5-二酮 在 溴苯 作用下， 以 溶剂黄146 为溶剂， 反应 7.0h， 生成 5-(4-Chloro-phenyl)-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