1,3-bis-(1-phenyl-3-methyl-5-pyrazolone-4-yl)-1,3-propanedione | 154048-58-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3-bis-(1-phenyl-3-methyl-5-pyrazolone-4-yl)-1,3-propanedione
• 英文别名: 1,3-bis(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)propane-1,3-dione
• CAS: 154048-58-5
• 化学式: C₂₃H₂₀N₄O₄
• 分子量: 416.436
• InChiKey: KRAFTFNFKFAVKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  99.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,10-菲罗啉 、 1,3-bis-(1-phenyl-3-methyl-5-pyrazolone-4-yl)-1,3-propanedione 、 neodymium(III) nitrate 在 NaOH 作用下， 以 乙醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Chelate complexes of 1,3-bis-(1′-phenyl-3′-methyl-5′-pyrazolone-4′)-1,3-propanedione and 1,10-phenanthroline with lanthanide

  摘要：

  A new ligand, 1,3-bis-(1'-phenyl-3'-methyl-5'-pyrazolone-4')-1,3-propanedione (H2L), and its chelated complexes, Ln2L3 (Phen) 2 . n H2O (where Phen = 1,10-phenanthroline, Ln = lanthanide and Y, n = 3-6), have been prepared by the reaction of H2L and Phen with the relative metal nitrate in an aqueous alcoholic solution. The binuclear structure of the complexes is proposed according to the discussions of the elemental analyses, molar conductance, IR and H-1 NMR spectra. Fluorescence spectra prove Pr, Sm, Eu, Tb, Dy and Tm complexes have line emissions of metal ions.

  DOI：

  10.1016/s0277-5387(00)81476-x

文献信息

• Chelate complexes of 1,3-bis-(1′-phenyl-3′-methyl-5′-pyrazolone-4′)-1,3-propanedione and 1,10-phenanthroline with lanthanide
  作者：Xiaojing Li、Lan Yan、Hui Wanyan、Rudong Yang

  DOI：10.1016/s0277-5387(00)81476-x

  日期：1993.8

  A new ligand, 1,3-bis-(1'-phenyl-3'-methyl-5'-pyrazolone-4')-1,3-propanedione (H2L), and its chelated complexes, Ln2L3 (Phen) 2 . n H2O (where Phen = 1,10-phenanthroline, Ln = lanthanide and Y, n = 3-6), have been prepared by the reaction of H2L and Phen with the relative metal nitrate in an aqueous alcoholic solution. The binuclear structure of the complexes is proposed according to the discussions of the elemental analyses, molar conductance, IR and H-1 NMR spectra. Fluorescence spectra prove Pr, Sm, Eu, Tb, Dy and Tm complexes have line emissions of metal ions.