5,5-difluoro-10-mesityl-2,8-bis(p-tolylethynyl)-5H-5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium | 1581741-59-4

• 英文名称: 5,5-difluoro-10-mesityl-2,8-bis(p-tolylethynyl)-5H-5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium
• CAS: 1581741-59-4
• 化学式: C₃₆H₂₉BF₂N₂
• 分子量: 538.447
• InChiKey: MAFVHXGWOYUSIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  5,5-difluoro-10-mesityl-2,8-bis(p-tolylethynyl)-5H-5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium 在 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 0.17h， 以41%的产率得到
  参考文献：
  名称：

  Luminescent Heteroleptic Tris(dipyrrinato)indium(III) Complexes

  摘要：

  To provide an improvement over the low fluorescence efficiencies often shown by homoleptic tris(dipyrrinato)indium(III) complexes, luminescent heteroleptic tris(dipyrrinato)indium(III) complexes bearing two types of dipyrrinato ligands are designed here by theoretical calculation and then synthesized. They possess frontier orbitals linked to suppression of the nonemissive charge-separated states; one shows a high fluorescence quantum yield (0.41) in toluene, which exceeds that of the corresponding BF2 complex.

  DOI：

  10.1021/ic500326u
• 作为产物：
  描述：

  5,11-Dibromo-2,2-difluoro-8-(2,4,6-trimethylphenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene 、 4-甲苯基乙炔 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 反应 24.0h， 以37%的产率得到5,5-difluoro-10-mesityl-2,8-bis(p-tolylethynyl)-5H-5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium
  参考文献：
  名称：

  Luminescent Heteroleptic Tris(dipyrrinato)indium(III) Complexes

  摘要：

  To provide an improvement over the low fluorescence efficiencies often shown by homoleptic tris(dipyrrinato)indium(III) complexes, luminescent heteroleptic tris(dipyrrinato)indium(III) complexes bearing two types of dipyrrinato ligands are designed here by theoretical calculation and then synthesized. They possess frontier orbitals linked to suppression of the nonemissive charge-separated states; one shows a high fluorescence quantum yield (0.41) in toluene, which exceeds that of the corresponding BF2 complex.

  DOI：

  10.1021/ic500326u