10,10-difluoro-10H-10l4-phenanthro[9'',10'':4',5']imidazo[1',2':3,4][1,3,2]diazaborolo[1,5-a]pyridin-11-ium | 1587260-98-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 10,10-difluoro-10H-10l4-phenanthro[9'',10'':4',5']imidazo[1',2':3,4][1,3,2]diazaborolo[1,5-a]pyridin-11-ium
• CAS: 1587260-98-7
• 化学式: C₂₀H₁₂BF₂N₃
• 分子量: 343.143
• InChiKey: NDANUXYSMSRHRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  三氟化硼乙醚 、 2-(pyridine-2-yl)-1H-phenanthro[9,10-d]imidazole 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以30%的产率得到10,10-difluoro-10H-10l4-phenanthro[9'',10'':4',5']imidazo[1',2':3,4][1,3,2]diazaborolo[1,5-a]pyridin-11-ium
  参考文献：
  名称：

  Synthesis, structures and photophysical properties of boron–fluorine derivatives based on pyridine/1,8-naphthyridine

  摘要：

  Three boron fluorine complexes B1-B3 containing pyridine/1,8-naphthyridine were synthesized and structurally characterized. Compounds B1 and B2 exhibited strong fluorescence in solution and solid state. The solvent-dependent luminous properties and large Stokes shift in solution could be explained by intramolecular charge transfer, which is confirmed by time-dependent density functional theory calculation. The absolute quantum yield of B1 in powder form reached 0.48 because of inhibiting planar pi...pi stacking. Single-crystal X-ray diffraction analyses of B1 and B2 revealed that weak intermolecular C H...F and H...pi interactions hinder further stacking of pi...pi dimers, consequently preventing aggregation-induced quenching. Complex 113, composed of boron-dipyrromethene and 1,8-naphthyridine fluorophore, had potential applications as a pH ratiometric fluorescent sensor. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2014.01.022