N-(4-n-butyl)phenylpyridoxaldimine | 1207730-36-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-(4-n-butyl)phenylpyridoxaldimine
• 英文别名: Hbppyr
• CAS: 1207730-36-6
• 化学式: C₁₈H₂₂N₂O₂
• 分子量: 298.385
• InChiKey: XRECORWPFQXJCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.68
• 重原子数：
  22.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  65.71
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-(4-n-butyl)phenylpyridoxaldimine 、 zinc(II) acetate dihydrate 以 甲醇 为溶剂， 以86%的产率得到[zinc(II)(N-(4-n-butyl)phenylpyridoxaldimine(-H))2(H2O)2]*nH2O
  参考文献：
  名称：

  Synthesis, Spectral and Electrochemical Studies of Co(II) and Zn(II) Complexes of a Novel Schiff base Derived from Pyridoxal

  摘要：

  A novel Schiff-base, N-(4-n-butyl)phenylpyridoxaldimine (Hbppyr), was prepared and structurally characterized on the basis of elemental analyses, and mass, NMR IR spectral data. Hbppyr was found to coordinate through the azomethine nitrogen and phenolate oxygen in [M(bppyr)2(H2O)2].nH2O where M = Co and Zn; non-coordination through pyridine nitrogen was implied by the IR spectral data as well as by the cyclic voltammograms of Hbppyr in its free and complexed forms. Pyridoxal-derived ligands have been continuously attracting the attention of number of scientists, mainly for the evolution of iron chelators for the treatment of iron overload disease and cancer.[1-6] Recently, some important review articles appeared on specifically pyridoxal isonicotinoyl hydrazone (PIH) and its analogs in relation to its potential orally effective iron-chelating ability for the treatment of iron overload disease.[1,2] As a part of our systematic investigation[7, 8] on 3d and 4f metal complexes of some novel Schiff base ligands, we report here the synthetic and spectral studies on Co(II) and Zn(II) complexes of pyridoxal-drived Schiff base, (4-n-butyl)phenylpyridoxaldimine (Hbppyr), 1.[image omitted].

  DOI：

  10.1080/15533170902784953