9-bromo-9-borafluorene−PPh3 | 1539323-06-2

• 英文名称: 9-bromo-9-borafluorene−PPh3
• 英文别名: 9-bromo-9-borafluorene-PPh3；BrBFl-PPh3
• CAS: 1539323-06-2
• 化学式: C₃₀H₂₃BBrP
• 分子量: 505.201
• InChiKey: GUIMCSYCWRPRLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 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：

  9-bromo-9-borafluorene−PPh3 以 氘代苯 、 甲苯 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  通过分子内施陶丁格型反应光化学和热生成氮化硼掺杂硼氟酸杂环

  摘要：

  通过分子内施陶丁格反应形成了一系列掺入氮化硼的硼氟酸杂环，双(硼芴-膦亚胺) ( 11 – 15 )。使用单齿膦稳定的 9-叠氮基-9-硼芴 (R 3 P-BF-N 3 ; 6 – 10 ) 通过光或热促进反应，并涉及二氮 (N 2 )的释放、硼中磷化氢的迁移到氮，以及磷中心的氧化（P III到 P V）。密度泛函理论 (DFT) 计算提供了对这些化合物形成的机制洞察。化合物11 – 15在溶液和固态中呈蓝色发射，绝对量子产率 (Φ F ) 范围为 12 至 68%。

  DOI：

  10.1021/acs.inorgchem.3c02284
• 作为产物：
  描述：

  2,2'-双溴双苯 在 正丁基锂 作用下， 以 正己烷 、 甲苯 为溶剂， 反应 72.0h， 生成 9-bromo-9-borafluorene−PPh3
  参考文献：
  名称：

  Synthesis and Luminescent Properties of Lewis Base-Appended Borafluorenes

  摘要：

  A series of Lewis base adducts of 9-bromo-9-borafluorene (BrBFl-LB, LB = IPr, IPrCH2, PPh3, and PCy3), parent borafluorenes (HBFl-IPr and HBFl-IPrCH2), and the bisadduct [(DMAP)(2)BFl]Br were prepared and structurally characterized (IPr = [(HCNDipp)(2)C:], IPrCH2 = [(HCNDipp)(2)C=CH2], Dipp = 2,6-i-Pr2C6H3, and DMAP = N,N-dimethylaminopyridine). The adducts BrBFl-IPr, BrEFl-PPh3, BrBFl-PCy3, [(DMAP)(2)BFI]Br, BrBFl-IPrCH2, and HBFl-IPrCH2 were found to exhibit bright blue luminescence with low to moderately high quantum efficiencies (19 to 63%). Selective irradiation at different excitation wavelengths revealed the presence of two distinct emission processes in the adducts BrBFl-LB, leading to a ligand-independent, presumably borafluorene-based, blue light emission at 435 nm and another less intense emission band in the ultraviolet region (315-324 nm); [(DMAP)(2)BFl]Br exhibits an emission profile that tails into the visible region. Time-dependent density functional theory studies are also included for representative borafluorene adducts. With a judicious choice of functional groups at boron, one can envisage the future generation of a whole library of 4-coordinate borafluorene-based luminogens that complement the efficient light-emitting behavior known for the widely studied boron-dipyrromethene analogues.

  DOI：

  10.1021/ic402408t