(E)-8-hydroxyquinoline-2-carbaldehyde O-benzyl oxime | 1352168-95-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (E)-8-hydroxyquinoline-2-carbaldehyde O-benzyl oxime
• CAS: 1352168-95-6
• 化学式: C₁₇H₁₄N₂O₂
• 分子量: 278.31
• InChiKey: DDCQQRJWNXZZPS-WOJGMQOQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.49
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  54.71
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  [RuHCl(CO)(PPh₃)₃] 、 (E)-8-hydroxyquinoline-2-carbaldehyde O-benzyl oxime 以 甲醇 为溶剂， 以79%的产率得到[RuH(CO)(P(C6H5)3)2((E)-8-oxyquinoline-2-carbaldehyde O-benzyl oxime)]
  参考文献：
  名称：

  Synthesis, characterization and molecular structure of Ru(II) complex with 8-hydroxyquinoline derivative

  摘要：

  The new (E)-8-hydroxyquinoline-2-carbaldehyde O-benzyl oxime ligand and its hydride-carbonyl complex of ruthenium was synthesized and characterized by infrared, proton and phosphorus nuclear magnetic resonance, electronic absorption and emission spectroscopy and X-ray crystallography. The experimental studies were complemented by theoretical calculations. From the electronic spectrum of the complex the Racah's and nepheloauxetic parameters are calculated. The electronic structure of the complexes, presented in particular by the density of states diagram, have been correlated with its ability to fluoresce and used to analyze the UV-Vis spectra. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.09.041
• 作为产物：
  描述：

  8-羟基喹啉-2-甲醛 、 O-苄基羟胺 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 0.17h， 以83%的产率得到(E)-8-hydroxyquinoline-2-carbaldehyde O-benzyl oxime
  参考文献：
  名称：

  Synthesis, characterization and molecular structure of Ru(II) complex with 8-hydroxyquinoline derivative

  摘要：

  The new (E)-8-hydroxyquinoline-2-carbaldehyde O-benzyl oxime ligand and its hydride-carbonyl complex of ruthenium was synthesized and characterized by infrared, proton and phosphorus nuclear magnetic resonance, electronic absorption and emission spectroscopy and X-ray crystallography. The experimental studies were complemented by theoretical calculations. From the electronic spectrum of the complex the Racah's and nepheloauxetic parameters are calculated. The electronic structure of the complexes, presented in particular by the density of states diagram, have been correlated with its ability to fluoresce and used to analyze the UV-Vis spectra. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.09.041

文献信息

• Characterization of a PdII complex with (E)-8-hydroxyquinoline-2-carbaldehyde O-benzyl oxime
  作者：Jan Grzegorz Malecki、Anna Maron´、Izabela Gryca、Maciej Serda

  DOI：10.1016/j.mencom.2013.12.008

  日期：2014.1

  The title complex was synthesized and characterized by IR, NMR and UV-VIS spectroscopy and X-ray crystallography; the electronic structure of the complex was calculated using the density functional theory.