8-甲氧基-5-(2,3,4,5,6-五氟苯基)喹啉 | 916162-53-3

• 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
• 中文名称: 8-甲氧基-5-(2,3,4,5,6-五氟苯基)喹啉
• 英文名称: 5-pentafluorophenyl-8-methoxyquinoline
• 英文别名: 8-Methoxy-5-(pentafluorophenyl)quinoline；8-methoxy-5-(2,3,4,5,6-pentafluorophenyl)quinoline
• CAS: 916162-53-3
• 化学式: C₁₆H₈F₅NO
• 分子量: 325.238
• InChiKey: JOTKZJPYGYQGOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (p-(t)BuC6H4)2BBr 、 8-甲氧基-5-(2,3,4,5,6-五氟苯基)喹啉 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以0.33 g的产率得到Bis(4-tert-butylphenyl)-[5-(2,3,4,5,6-pentafluorophenyl)quinolin-8-yl]oxyborane
  参考文献：
  名称：

  Luminescence Tuning of Organoboron Quinolates through Substituent Variation at the 5-Position of the Quinolato Moiety

  摘要：

  A series of organoboron quinolates with emission colors ranging from blue to red have been prepared. In comparison to the respective AlQ(3) derivatives a distinct blue-shift of the emission is observed. Theoretical calculations serve to provide insight into the nature of the frontier orbitals and the effect of the substituents in the 5-position of the quinolate ligands on the relative HOMO and LUMO energy levels. An efficient new blue emitting material with a pinacolborane substituent has been identified.

  DOI：

  10.1021/ol0619664

文献信息

• Luminescence Tuning of Organoboron Quinolates through Substituent Variation at the 5-Position of the Quinolato Moiety
  作者：Yang Qin、Irene Kiburu、Shimul Shah、Frieder Jäkle

  DOI：10.1021/ol0619664

  日期：2006.11.9

  A series of organoboron quinolates with emission colors ranging from blue to red have been prepared. In comparison to the respective AlQ(3) derivatives a distinct blue-shift of the emission is observed. Theoretical calculations serve to provide insight into the nature of the frontier orbitals and the effect of the substituents in the 5-position of the quinolate ligands on the relative HOMO and LUMO energy levels. An efficient new blue emitting material with a pinacolborane substituent has been identified.