6,7-difluoro-2-oxo-quinoline-3-carbaldehyde | 1562415-05-7

• 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: 6,7-difluoro-2-oxo-quinoline-3-carbaldehyde
• 英文别名: 6,7-difluoro-2-oxo-1H-quinoline-3-carbaldehyde
• CAS: 1562415-05-7
• 化学式: C₁₀H₅F₂NO₂
• 分子量: 209.152
• InChiKey: KJFZWKUXLWZEDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 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：
  46.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6,7-difluoro-2-oxo-quinoline-3-carbaldehyde 、 邻苯二胺 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以65%的产率得到3-(1H-benzo[d]imidazol-2-yl)-6,7-difluoroquinolin-2(1H)-one
  参考文献：
  名称：

  Spectroscopic study of the recognition of 2-quinolinone derivative on mercury ion

  摘要：

  A new compound based on 2-quinolinone derivative with very little side effects on organisms, 3-(1H-benzo[d]imidazol-2-yl)-6,7-difluoroquinolin-2(1H)-one, has been designed, synthesized and characterized. And its recognition ability was firstly studied by spectroscopy. The result indicated that the compound shows high selectivity for Hg2+ over other metal ions with detectable fluorescent signals in aqueous-methanol media. The proposed mechanism is that the fluorescence of the probe was quenched due to the effect from spin-orbit coupling of Hg2+ after the probe coordinated with Hg2+, and was proved by ESI-MS and H-1 NMR analysis. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2014.04.044
• 作为产物：
  描述：

  2-氯-6,7-二氟-3-喹啉甲醛 在 溶剂黄146 作用下， 以 水 为溶剂， 反应 6.0h， 以81.8%的产率得到6,7-difluoro-2-oxo-quinoline-3-carbaldehyde
  参考文献：
  名称：

  Spectroscopic study of the recognition of 2-quinolinone derivative on mercury ion

  摘要：

  A new compound based on 2-quinolinone derivative with very little side effects on organisms, 3-(1H-benzo[d]imidazol-2-yl)-6,7-difluoroquinolin-2(1H)-one, has been designed, synthesized and characterized. And its recognition ability was firstly studied by spectroscopy. The result indicated that the compound shows high selectivity for Hg2+ over other metal ions with detectable fluorescent signals in aqueous-methanol media. The proposed mechanism is that the fluorescence of the probe was quenched due to the effect from spin-orbit coupling of Hg2+ after the probe coordinated with Hg2+, and was proved by ESI-MS and H-1 NMR analysis. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2014.04.044