2-oxo-N'-((4-oxo-4H-chromen-3-yl)methylene)-2-(phenylamino)acetohydrazide | 881468-16-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-oxo-N'-((4-oxo-4H-chromen-3-yl)methylene)-2-(phenylamino)acetohydrazide
• 英文别名: 1-{N'-[(E)-(4-oxo-4H-chromen-3-yl)methylidene]hydrazinecarbonyl}-N-phenylformamide；N'-[(4-oxochromen-3-yl)methylideneamino]-N-phenyloxamide
• CAS: 881468-16-2
• 化学式: C₁₈H₁₃N₃O₄
• 分子量: 335.319
• InChiKey: CYKLMZIKWMRBLT-UHFFFAOYSA-N

物化性质

• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  96.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-oxo-N'-((4-oxo-4H-chromen-3-yl)methylene)-2-(phenylamino)acetohydrazide 、 nickel dichloride 在 sodium acetate 作用下， 以 乙醇 为溶剂， 以86%的产率得到[Ni((2-oxo-N'-((4-oxo-4H-chromen-3-yl)methylene)-2-(phenylamino)acetohydrazide)(-1H))(chloride)]
  参考文献：
  名称：

  Structural, spectral, thermal and biological studies on 2-oxo-N′-((4-oxo-4H-chromen-3-yl)methylene)-2-(phenylamino)acetohydrazide (H2L) and its metal complexes

  摘要：

  A new series of metal complexes formed by the reaction of 2-oxo-N'-((4-oxo-4H-chromen-3-yl)methylene)-2-(phenylamino)acetohydrazide(H2L) and Cu(II), Co(II), Ni(II), Cd(II), Zn(II), Hg(II) and U(VI)O-2(2+) ions. The isolated complexes have been characterized by elemental analyses, spectral (IR, UV-visible and H-1 NMR) as well as magnetic and thermal measurements. The data revealed that the ligand acts as neutral ON or ONO as well as mononegative ONO. On the basis of magnetic and electronic spectral data an octahedral geometry for the Co(II), Cu(II) and U(VI)O-2 complexes, a tetrahedral structure for the Ni(II), Cd(II), Zn(II) and Hg(II) complexes have been proposed. The bond length, bond angle, HOMO, LUMO, dipole moment and charges on the atoms have been calculated to confirm the geometry of the ligand and the investigated complexes. Also, kinetic parameters were determined for each thermal degradation stage of some complexes using Coats-Redfern and Horowitz-Metzger methods. Moreover, the ligand and its complexes were screened against Bacillus thuringiensis (Bt) as Gram positive bacteria and Pseudomonas aeuroginosa (Pa) Gram negative bacteria using the inhibitory zone diameter. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.03.043
• 作为产物：
  描述：

  2-肼基-2-氧代正苯基乙酰胺 、 色酮-3-甲醛 以 乙醇 为溶剂， 反应 4.0h， 以93%的产率得到2-oxo-N'-((4-oxo-4H-chromen-3-yl)methylene)-2-(phenylamino)acetohydrazide
  参考文献：
  名称：

  Structural, spectral, thermal and biological studies on 2-oxo-N′-((4-oxo-4H-chromen-3-yl)methylene)-2-(phenylamino)acetohydrazide (H2L) and its metal complexes

  摘要：

  A new series of metal complexes formed by the reaction of 2-oxo-N'-((4-oxo-4H-chromen-3-yl)methylene)-2-(phenylamino)acetohydrazide(H2L) and Cu(II), Co(II), Ni(II), Cd(II), Zn(II), Hg(II) and U(VI)O-2(2+) ions. The isolated complexes have been characterized by elemental analyses, spectral (IR, UV-visible and H-1 NMR) as well as magnetic and thermal measurements. The data revealed that the ligand acts as neutral ON or ONO as well as mononegative ONO. On the basis of magnetic and electronic spectral data an octahedral geometry for the Co(II), Cu(II) and U(VI)O-2 complexes, a tetrahedral structure for the Ni(II), Cd(II), Zn(II) and Hg(II) complexes have been proposed. The bond length, bond angle, HOMO, LUMO, dipole moment and charges on the atoms have been calculated to confirm the geometry of the ligand and the investigated complexes. Also, kinetic parameters were determined for each thermal degradation stage of some complexes using Coats-Redfern and Horowitz-Metzger methods. Moreover, the ligand and its complexes were screened against Bacillus thuringiensis (Bt) as Gram positive bacteria and Pseudomonas aeuroginosa (Pa) Gram negative bacteria using the inhibitory zone diameter. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.03.043

文献信息

• Structural, spectral, thermal and biological studies on 2-oxo-N′-((4-oxo-4H-chromen-3-yl)methylene)-2-(phenylamino)acetohydrazide (H2L) and its metal complexes
  作者：Ola A. El-Gammal、Gaber Abu El-Reash、Sara F. Ahmed

  DOI：10.1016/j.molstruc.2011.03.043

  日期：2012.1

  A new series of metal complexes formed by the reaction of 2-oxo-N'-((4-oxo-4H-chromen-3-yl)methylene)-2-(phenylamino)acetohydrazide(H2L) and Cu(II), Co(II), Ni(II), Cd(II), Zn(II), Hg(II) and U(VI)O-2(2+) ions. The isolated complexes have been characterized by elemental analyses, spectral (IR, UV-visible and H-1 NMR) as well as magnetic and thermal measurements. The data revealed that the ligand acts as neutral ON or ONO as well as mononegative ONO. On the basis of magnetic and electronic spectral data an octahedral geometry for the Co(II), Cu(II) and U(VI)O-2 complexes, a tetrahedral structure for the Ni(II), Cd(II), Zn(II) and Hg(II) complexes have been proposed. The bond length, bond angle, HOMO, LUMO, dipole moment and charges on the atoms have been calculated to confirm the geometry of the ligand and the investigated complexes. Also, kinetic parameters were determined for each thermal degradation stage of some complexes using Coats-Redfern and Horowitz-Metzger methods. Moreover, the ligand and its complexes were screened against Bacillus thuringiensis (Bt) as Gram positive bacteria and Pseudomonas aeuroginosa (Pa) Gram negative bacteria using the inhibitory zone diameter. (C) 2011 Elsevier B.V. All rights reserved.