o-acetoacetotoluidide monohydrazone | 1373927-19-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: o-acetoacetotoluidide monohydrazone
• CAS: 1373927-19-5
• 化学式: C₁₁H₁₅N₃O
• 分子量: 205.26
• InChiKey: WPEKRZRSTCULQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.66
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  67.48
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  o-acetoacetotoluidide monohydrazone 、 水杨醛 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以81%的产率得到
  参考文献：
  名称：

  Developing biologically active compounds having efficient DNA binding and cleavage activity: Spectroscopic investigation

  摘要：

  A new series of novel o-acetoacetotoluidide derived Schiff base and its metal complexes have been synthesized and structurally characterized. Elemental analysis, magnetic and spectroscopic data suggest that the complexes have octahedral geometry. Binding of these complexes with CT-DNA has been analyzed by absorption spectra, viscosity, cyclicvoltammetry and molecular docking analysis. Detailed analysis reveals that the metal complexes intercalate into the DNA base stack as intercalators. All the metal complexes cleave the pBR322 DNA upon irradiation. Antibacterial and antifungal activities of the ligand and its metal complexes are also explored and it has been observed that the complexes exhibit excellent activity against all types of bacteria and fungi than the ligand. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.03.024
• 作为产物：
  描述：

  2'-甲基乙酰乙酰苯胺 在 一水合肼 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 o-acetoacetotoluidide monohydrazone
  参考文献：
  名称：

  Developing biologically active compounds having efficient DNA binding and cleavage activity: Spectroscopic investigation

  摘要：

  A new series of novel o-acetoacetotoluidide derived Schiff base and its metal complexes have been synthesized and structurally characterized. Elemental analysis, magnetic and spectroscopic data suggest that the complexes have octahedral geometry. Binding of these complexes with CT-DNA has been analyzed by absorption spectra, viscosity, cyclicvoltammetry and molecular docking analysis. Detailed analysis reveals that the metal complexes intercalate into the DNA base stack as intercalators. All the metal complexes cleave the pBR322 DNA upon irradiation. Antibacterial and antifungal activities of the ligand and its metal complexes are also explored and it has been observed that the complexes exhibit excellent activity against all types of bacteria and fungi than the ligand. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.03.024