3,4-dimethyl-1-phenylpyrazolo<3,4-c>pyrazole | 3968-53-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,4-dimethyl-1-phenylpyrazolo<3,4-c>pyrazole
• 英文别名: 3,4-dimethyl-1-phenyl-1,6-dihydro-pyrazolo[3,4-c]pyrazole；3,4-Dimethyl-6-phenyl-pyrazolo<3,4-c>-pyrazol；1-Phenyl-3,3'-dimethylpyrazolo<4,5-b>pyrazol；3,4-Dimethyl-1-phenyl-1,2-dihydropyrazolo[3,4-c]pyrazole；3,4-dimethyl-6-phenyl-2H-pyrazolo[3,4-c]pyrazole
• CAS: 3968-53-4
• 化学式: C₁₂H₁₂N₄
• 分子量: 212.254
• InChiKey: HCZQRKFSDUSOFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-乙酰基-5-甲基-2-苯基-2,4-二氢-3H-吡唑-3-酮 在 tetraphosphorus decasulfide 、 一水合肼 、 三氯氧磷 作用下， 以 吡啶 、 乙醇 、 氯仿 为溶剂， 反应 5.0h， 生成 3,4-dimethyl-1-phenylpyrazolo<3,4-c>pyrazole
  参考文献：
  名称：

  Studies in the Vilsmeier-Haack reaction, part VII: Synthesis and reaction of 3-methyl-1-phenyl-4-acetyl hydrazono 2-pyrazoline-5-one(-5-thione)

  摘要：

  The keto (thio) tautomers 1-4 of the hydrazono pyrazolone, thiopyrazolone derivatives underwent simultaneous diformylation, chlorination (desulphurization) and ring closure under Vilsmeier reaction conditions giving the pyrazolo[3,4-c]pyrazole aminoacroleins (5,6). Treatment of 5 and/or 6 with proper reagents afforded the corresponding pyrazolo[3,4-c]pyrazoles with different heterocyclic systems at the 3-position.The structures of these compounds were confirmed by elemental analysis, IR and H-1-NMR spectroscopy. All synthesized compounds have been screened in vitro for their antibacterial activities against a number of Gram-positive and Gram-negative bacteria.

  DOI：

  10.1007/bf00809252