3,7-di([2,2'-bithiophen]-5-yl)-5-fluoro-2,8-dimethoxy-5-(2,4,6-triisopropylphenyl)-5H-dibenzo[b,d]borol-5-uide | 1173007-48-1

• 英文名称: 3,7-di([2,2'-bithiophen]-5-yl)-5-fluoro-2,8-dimethoxy-5-(2,4,6-triisopropylphenyl)-5H-dibenzo[b,d]borol-5-uide
• CAS: 1173007-48-1
• 化学式: C₄₅H₄₃BFO₂S₄
• 分子量: 773.909
• InChiKey: AEEHHJWQVJLDAL-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

• 作为反应物：
  描述：

  3,7-di([2,2'-bithiophen]-5-yl)-5-fluoro-2,8-dimethoxy-5-(2,4,6-triisopropylphenyl)-5H-dibenzo[b,d]borol-5-uide 在 三氟化硼乙醚 作用下， 以 not given 为溶剂， 生成 2-[2,8-Dimethoxy-3-(5-thiophen-2-ylthiophen-2-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1]benzoborol-7-yl]-5-thiophen-2-ylthiophene
  参考文献：
  名称：

  Dibenzoborole-Containing π-Electron Systems:  Remarkable Fluorescence Change Based on the “On/Off” Control of the p_π−π* Conjugation

  摘要：

  A series of dibenzoborole derivatives with various groups such as (N,N-diphenylamino)phenyl, thienyl, and bithienyl groups at the 3,7-positions have been synthesized and their photophysical properties studied. These new pi-electron systems show significant solvatochromism in the fluorescence spectra. Thus, about 100-140 nm blue shifts in the emission maxima and 20-30-fold increments in the quantum yields are observed upon changing the solvent from THF to DMF. Similar fluorescence changes are observed upon the addition of n-Bu4NF to their THF solutions, demonstrating their sensing abilities toward a fluoride ion. These fluorescence changes result from the "on/off" control of the ppi-pi* conjugation in their LUMO by the coordination of donor solvents or fluoride ion to the boron atom in the dibenzoborole skeleton.

  DOI：

  10.1021/ja026689k
• 作为产物：
  描述：

  四丁基氟化铵 、 2-[2,8-Dimethoxy-3-(5-thiophen-2-ylthiophen-2-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1]benzoborol-7-yl]-5-thiophen-2-ylthiophene 以 四氢呋喃 为溶剂， 生成 3,7-di([2,2'-bithiophen]-5-yl)-5-fluoro-2,8-dimethoxy-5-(2,4,6-triisopropylphenyl)-5H-dibenzo[b,d]borol-5-uide
  参考文献：
  名称：

  Dibenzoborole-Containing π-Electron Systems:  Remarkable Fluorescence Change Based on the “On/Off” Control of the p_π−π* Conjugation

  摘要：

  A series of dibenzoborole derivatives with various groups such as (N,N-diphenylamino)phenyl, thienyl, and bithienyl groups at the 3,7-positions have been synthesized and their photophysical properties studied. These new pi-electron systems show significant solvatochromism in the fluorescence spectra. Thus, about 100-140 nm blue shifts in the emission maxima and 20-30-fold increments in the quantum yields are observed upon changing the solvent from THF to DMF. Similar fluorescence changes are observed upon the addition of n-Bu4NF to their THF solutions, demonstrating their sensing abilities toward a fluoride ion. These fluorescence changes result from the "on/off" control of the ppi-pi* conjugation in their LUMO by the coordination of donor solvents or fluoride ion to the boron atom in the dibenzoborole skeleton.

  DOI：

  10.1021/ja026689k