2-(p-fluorophenyl)-α,α,α-trifluorotoluene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(p-fluorophenyl)-α,α,α-trifluorotoluene
• 英文别名: 4-Fluoro-2'-(trifluoromethyl)biphenyl；1-fluoro-4-[2-(trifluoromethyl)phenyl]benzene
• 化学式: C₁₃H₈F₄
• 分子量: 240.2
• InChiKey: NUZIXEFOPRLHCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(p-fluorophenyl)-α,α,α-trifluorotoluene 在 lithium aluminium tetrahydride 、 niobium pentachloride 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 以85%的产率得到2-氟芴
  参考文献：
  名称：

  Low-Valent Niobium-Mediated Double Activation of C−F/C−H Bonds:  Fluorene Synthesis from o-Arylated α,α,α-Trifluorotoluene Derivatives

  摘要：

  By the treatment of 0.3 molar amount of NbCl5 and LiAlH4, o-arylated alpha,alpha,alpha-trifluorotoluenes afforded fluorene derivatives in good yields. C-F bonds of the CF3 group and the neighboring ortho C-H bond were doubly activated to give the coupling products.

  DOI：

  10.1021/ja0565323
• 作为产物：
  描述：

  邻溴三氟甲苯 、 对溴氟苯 生成 2-(p-fluorophenyl)-α,α,α-trifluorotoluene
  参考文献：
  名称：

  Low-Valent Niobium-Mediated Double Activation of C−F/C−H Bonds:  Fluorene Synthesis from o-Arylated α,α,α-Trifluorotoluene Derivatives

  摘要：

  By the treatment of 0.3 molar amount of NbCl5 and LiAlH4, o-arylated alpha,alpha,alpha-trifluorotoluenes afforded fluorene derivatives in good yields. C-F bonds of the CF3 group and the neighboring ortho C-H bond were doubly activated to give the coupling products.

  DOI：

  10.1021/ja0565323

文献信息

• 유기 화합물 및 이를 포함하는 유기발광소자
  申请人：(주)피엔에이치테크

  公开号：KR20240040280A

  公开（公告）日：2024-03-28

  본 발명은 하기 [화학식 Ⅰ]로 표시되는 유기 화합물로서, 청색, 녹색, 적색 각 파장대에서의 굴절률 값이 종래의 정공수송 재료에 비하여 낮은 굴절률을 가져서 이를 정공수송층에 채용하여 소자를 구성하는 경우 유기발광소자의 효율 최적화를 기대할 수 있으며, 이에 따라 본 발명에 따른 화합물을 소자 내의 정공수송층 등에 채용하는 경우, 발광 효율, 양자 효율 등 발광 특성이 매우 우수한 유기발광소자의 구현이 가능하다. [화학식 Ⅰ]

  本发明涉及一种由下述化学式Ⅰ表示的有机化合物，其在蓝色、绿色和红色各波段的折射率值比现有空穴传输材料更低。因此，将其作为空穴传输层应用于器件时，有望实现有机发光二极管的效率最优。由此，在器件内部的空穴传输层等位置采用本发明的化合物的情况下，可以实现具有优异发光特性，例如发光效率、量子效率均非常出色的有机发光二极管。 [化学式Ⅰ]
• Low-Valent Niobium-Mediated Double Activation of C−F/C−H Bonds:  Fluorene Synthesis from <i>o</i>-Arylated α,α,α-Trifluorotoluene Derivatives
  作者：Kohei Fuchibe、Takahiko Akiyama

  DOI：10.1021/ja0565323

  日期：2006.2.1

  By the treatment of 0.3 molar amount of NbCl5 and LiAlH4, o-arylated alpha,alpha,alpha-trifluorotoluenes afforded fluorene derivatives in good yields. C-F bonds of the CF3 group and the neighboring ortho C-H bond were doubly activated to give the coupling products.