5-(4-Chloro-phenyl)-3-(4-methoxy-phenyl)-1-(4-oxo-4,5-dihydro-thiazol-2-yl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione | 494583-64-1

• 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-(4-methoxy-phenyl)-1-(4-oxo-4,5-dihydro-thiazol-2-yl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione
• 英文别名: 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-(4-oxo-1,3-thiazol-2-yl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
• CAS: 494583-64-1
• 化学式: C₂₁H₁₅ClN₄O₄S
• 分子量: 454.893
• InChiKey: UORNWXIXYCGNCB-UHFFFAOYSA-N

物化性质

• 沸点：
  718.2±70.0 °C(Predicted)
• 密度：
  1.62±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  117
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-(4-Chloro-phenyl)-3-(4-methoxy-phenyl)-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， 生成 5-(4-Chloro-phenyl)-3-(4-methoxy-phenyl)-1-(4-oxo-4,5-dihydro-thiazol-2-yl)-1H-pyrrolo[3,4-c]pyrazole-4,6-dione
  参考文献：
  名称：

  Reactions with Maleimides XI: 1 Dipolar Cycloaddition Reactions with Thiazolonylarylhydrazones: A New Route for the Synthesis of Several New Thiazolonylpyrazoles of Expected Biological Activities

  摘要：

  Several new pyrrolopyrazoles were synthesised via the reaction of thiazolonylarylhydrazones with N-arylmaleimides followed by partial dehydrogenation using bromobenzene and complete aromatization using nitrobenzene. Structures were elucidated by elemental analyses and spectral data studies.

  DOI：

  10.1080/10426500210665
• 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 13.0h， 生成 5-(4-Chloro-phenyl)-3-(4-methoxy-phenyl)-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：

  Reactions with Maleimides XI: 1 Dipolar Cycloaddition Reactions with Thiazolonylarylhydrazones: A New Route for the Synthesis of Several New Thiazolonylpyrazoles of Expected Biological Activities

  摘要：

  Several new pyrrolopyrazoles were synthesised via the reaction of thiazolonylarylhydrazones with N-arylmaleimides followed by partial dehydrogenation using bromobenzene and complete aromatization using nitrobenzene. Structures were elucidated by elemental analyses and spectral data studies.

  DOI：

  10.1080/10426500210665