2-p-chlorophenyl-3-benzylidenehydrazinocarbonyl-4,5-dihydronaphtho[1,2-c]pyrazole | 481648-62-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-p-chlorophenyl-3-benzylidenehydrazinocarbonyl-4,5-dihydronaphtho[1,2-c]pyrazole
• CAS: 481648-62-8
• 化学式: C₂₅H₁₉ClN₄O
• 分子量: 426.905
• InChiKey: VUMDDXJPCYUQBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.06
• 重原子数：
  31.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  59.28
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-p-chlorophenyl-3-benzylidenehydrazinocarbonyl-4,5-dihydronaphtho[1,2-c]pyrazole 在 碘 、 magnesium oxide 、 mercury(II) oxide 作用下， 以 乙醚 为溶剂， 反应 48.0h， 以51%的产率得到2-p-chlorophenyl-3-(5'-phenyl-1',3',4'-oxadiazol-2'-yl)-4,5-dihydronaphth[1,2-c]-pyrazole
  参考文献：
  名称：

  Synthesis and Spectral Characterization of Novel 1,3,4-Oxadiazole and 1,2,4-Triazole Derivatives: Synthesis for Potential Pharmacological Activities

  摘要：

  Oxadiazole derivatives (3a,b) and (4a,b) were obtained in a good yield by the reaction of the benzylidene derivatives (2a,b) with acetic anhydride and yellow mercuric oxide respectively. Cyclodesulfurization of the thiosemicarbazide derivatives (5a-c) with yellow mercuric oxide afforded the oxadiazoles (7a-e). On the other hand, reaction of (5a-c) with sodium hydroxide gave the triazoles (6a-c). The structures of the isolated products were fully determined by spectral methods.

  DOI：

  10.1080/10426500210235
• 作为产物：
  描述：

  苯甲醛 、 2-(4-Chloro-phenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid hydrazide 以 乙醇 为溶剂， 反应 3.0h， 以57%的产率得到2-p-chlorophenyl-3-benzylidenehydrazinocarbonyl-4,5-dihydronaphtho[1,2-c]pyrazole
  参考文献：
  名称：

  Synthesis and Spectral Characterization of Novel 1,3,4-Oxadiazole and 1,2,4-Triazole Derivatives: Synthesis for Potential Pharmacological Activities

  摘要：

  Oxadiazole derivatives (3a,b) and (4a,b) were obtained in a good yield by the reaction of the benzylidene derivatives (2a,b) with acetic anhydride and yellow mercuric oxide respectively. Cyclodesulfurization of the thiosemicarbazide derivatives (5a-c) with yellow mercuric oxide afforded the oxadiazoles (7a-e). On the other hand, reaction of (5a-c) with sodium hydroxide gave the triazoles (6a-c). The structures of the isolated products were fully determined by spectral methods.

  DOI：

  10.1080/10426500210235