3-formyl-4-hydroxy-1,8-naphthyridine-2-one aldoxime | 153457-26-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-formyl-4-hydroxy-1,8-naphthyridine-2-one aldoxime
• 英文别名: 1,8-Naphthyridine-3-carboxaldehyde,1,2-dihydro-4-hydroxy-2-oxo-, 3-oxime；4-hydroxy-3-(hydroxyiminomethyl)-1H-1,8-naphthyridin-2-one
• CAS: 153457-26-2
• 化学式: C₉H₇N₃O₃
• 分子量: 205.173
• InChiKey: KJECJXGPQKZWJO-UHFFFAOYSA-N

物化性质

• 沸点：
  377.7±52.0 °C(Predicted)
• 密度：
  1.62±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 3-formyl-4-hydroxy-1,8-naphthyridine-2-one aldoxime 以 乙醇 为溶剂， 以75%的产率得到(3-formyl-4-oxy-1,8-naphthyridine-2-one aldoxime)2Cu(H2O)2*2H2O
  参考文献：
  名称：

  SYNTHESIS AND SPECTRAL FEATURES OF Fe(III), Co(II), Ni(II), Cu(II), Zn(II), AND UO₂(VI) COMPLEXES OF 3-FORMYL-4-HYDROXY-1,8- NAPHTHYRIDIN-2-ONE (OO) AND ITS ALDOXIME (ON)

  摘要：

  The bidentate O,O donor ligand, 3-formyl-4-hydroxy-1,8-naphthyridine-2-one HL1, and its aldoxime derivative, an O,N donor ligand, HL2, were synthesized End used in chelating metal cations. The structures of the ligands were elucidated by IR and mass spectra. The mass spectra showed the molecular ion peaks : at 190 and 205 a.m.u., respectively, corresponding to the formula weights of the ligands. Four types of metal complexes were prepared, [(L)(2)M(OH2)(2)].xH(2)O, [(L)(2)UO2(MeOH)] and [(L)(2)Zn]. xH(2)O [L=L-1 or L-2, M = Ni(II), Cu(II) and Co(II)], [(L-2)(2)Fe (OH2)CI].H2O and [(LFe)-Fe-1(OH2)(2)Cl-2].2H(2)O. It was found that only one type of these metal complexes is obtained regardless whether the metal : ligand ratio was 1: 1 or 1:2 and regardless of the metal salt used, chloride, acetate or;perchlorate, except for the Fe(III) complex of HL1 which was formed using-only the molar ratio 1:1. All complexes exhibted very similar IR features which indicate that the complexes are of similar structures. Electronic spectra and magnetic susceptibility measurements were used to elucidate the structures of the newly prepared metal complexes. The Fe(III), Ni(II), Co(II) and Cu(II) complexes have octahedral geometry formed by the two aldehydic and two phenolate oxygen atoms in the case of complexes of the ligand HL1 and two: oxime nitrogen atoms and two phenolate oxygen atoms in the case of complexes of the ligand HL2. In addition, chloride, water or methanol molecules are arranged in axial positions. A pentagonal-bipyramidal geometry for the UO2(VI) complexes and a square-planar geometry for the Zn(II) complexes are suggested.

  DOI：

  10.1081/sim-100002229

文献信息

• SYNTHESIS AND SPECTRAL FEATURES OF Fe(III), Co(II), Ni(II), Cu(II), Zn(II), AND UO₂(VI) COMPLEXES OF 3-FORMYL-4-HYDROXY-1,8- NAPHTHYRIDIN-2-ONE (OO) AND ITS ALDOXIME (ON)
  作者：Saied M. E. Khalil

  DOI：10.1081/sim-100002229

  日期：2001.3.31

  The bidentate O,O donor ligand, 3-formyl-4-hydroxy-1,8-naphthyridine-2-one HL1, and its aldoxime derivative, an O,N donor ligand, HL2, were synthesized End used in chelating metal cations. The structures of the ligands were elucidated by IR and mass spectra. The mass spectra showed the molecular ion peaks : at 190 and 205 a.m.u., respectively, corresponding to the formula weights of the ligands. Four types of metal complexes were prepared, [(L)(2)M(OH2)(2)].xH(2)O, [(L)(2)UO2(MeOH)] and [(L)(2)Zn]. xH(2)O [L=L-1 or L-2, M = Ni(II), Cu(II) and Co(II)], [(L-2)(2)Fe (OH2)CI].H2O and [(LFe)-Fe-1(OH2)(2)Cl-2].2H(2)O. It was found that only one type of these metal complexes is obtained regardless whether the metal : ligand ratio was 1: 1 or 1:2 and regardless of the metal salt used, chloride, acetate or;perchlorate, except for the Fe(III) complex of HL1 which was formed using-only the molar ratio 1:1. All complexes exhibted very similar IR features which indicate that the complexes are of similar structures. Electronic spectra and magnetic susceptibility measurements were used to elucidate the structures of the newly prepared metal complexes. The Fe(III), Ni(II), Co(II) and Cu(II) complexes have octahedral geometry formed by the two aldehydic and two phenolate oxygen atoms in the case of complexes of the ligand HL1 and two: oxime nitrogen atoms and two phenolate oxygen atoms in the case of complexes of the ligand HL2. In addition, chloride, water or methanol molecules are arranged in axial positions. A pentagonal-bipyramidal geometry for the UO2(VI) complexes and a square-planar geometry for the Zn(II) complexes are suggested.