1-phenyl-3-methyl-5-hydroxypyrazole-4-carbaldehyde-(4-hydroxy-benzoyl)hydrazone | 894696-47-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-phenyl-3-methyl-5-hydroxypyrazole-4-carbaldehyde-(4-hydroxy-benzoyl)hydrazone
• CAS: 894696-47-0
• 化学式: C₁₈H₁₆N₄O₃
• 分子量: 336.35
• InChiKey: SMSHAGNWSUCZQY-UHFFFAOYSA-N

物化性质

• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.36
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  99.74
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  甲醇 、 1-phenyl-3-methyl-5-hydroxypyrazole-4-carbaldehyde-(4-hydroxy-benzoyl)hydrazone 、 反应 12.0h， 生成
  参考文献：
  名称：

  Lanthanide Complexes of 1-phenyl-3-methyl-5-hydroxypyrazole-4-carbaldehyde-(4′-hydroxybenzoyl) Hydrazone: Crystal Structure and Interaction Studies With Biomacromolecules

  摘要：

  1-phenyl-3-methyl-5-hydroxypyrazole-4-carbaldehyde-(4-hyd roxybenzoyl) hydrazone and Ln(III) complexes have been synthesized and characterized. The interaction between these compounds and biomacromolecules was investigated by fluorescence and UV/vis absorption spectroscopy. The results suggested that the compounds caused fluorescence quenching of BSA through a static quenching procedure. Hydrophobic interaction force also played a major role in stabilizing the compounds. Moreover, interactions between calf thymus DNA and compound H3L and its Ln(III) complexes were studied by spectroscopy and viscosity measurements. These studies showed that these compounds bind to DNA via an intercalation mode. Furthermore, antioxidant activities of compounds were determined by hydroxyl radical scavenging methods in detail. Supplemental materials are available for this article. Go to the publisher's online edition of Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry to view the supplemental file.

  DOI：

  10.1080/15533174.2012.740753
• 作为产物：
  描述：

  3-甲基-5-氧代-1-苯基-4H-吡唑-4-甲醛 、 4-羟基苯甲酰肼 以 乙醇 为溶剂， 反应 3.0h， 以90%的产率得到1-phenyl-3-methyl-5-hydroxypyrazole-4-carbaldehyde-(4-hydroxy-benzoyl)hydrazone
  参考文献：
  名称：

  Lanthanide Complexes of 1-phenyl-3-methyl-5-hydroxypyrazole-4-carbaldehyde-(4′-hydroxybenzoyl) Hydrazone: Crystal Structure and Interaction Studies With Biomacromolecules

  摘要：

  1-phenyl-3-methyl-5-hydroxypyrazole-4-carbaldehyde-(4-hyd roxybenzoyl) hydrazone and Ln(III) complexes have been synthesized and characterized. The interaction between these compounds and biomacromolecules was investigated by fluorescence and UV/vis absorption spectroscopy. The results suggested that the compounds caused fluorescence quenching of BSA through a static quenching procedure. Hydrophobic interaction force also played a major role in stabilizing the compounds. Moreover, interactions between calf thymus DNA and compound H3L and its Ln(III) complexes were studied by spectroscopy and viscosity measurements. These studies showed that these compounds bind to DNA via an intercalation mode. Furthermore, antioxidant activities of compounds were determined by hydroxyl radical scavenging methods in detail. Supplemental materials are available for this article. Go to the publisher's online edition of Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry to view the supplemental file.

  DOI：

  10.1080/15533174.2012.740753