9,10-di-(3-fluorophenyl)anthracene | 1235890-64-8

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基萘木脂素
• 英文名称: 9,10-di-(3-fluorophenyl)anthracene
• 英文别名: 9,10-Bis(3-fluorophenyl)anthracene
• CAS: 1235890-64-8
• 化学式: C₂₆H₁₆F₂
• 分子量: 366.41
• InChiKey: AJVXKPOIJIRPTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  9,10-二溴蒽 、 3-氟苯基硼酸 在 potassium phosphate 、 nickel dibromide 作用下， 以 1,4-二氧六环 为溶剂， 反应 48.0h， 以68%的产率得到9,10-di-(3-fluorophenyl)anthracene
  参考文献：
  名称：

  溴化镍催化的无配体和无活化剂 Suzuki 偶联反应

  摘要：

  易于获得且价格低廉的NiBr 2首次用于在环境条件下以高产率实现各种芳基卤化物（约 60 个实例）与几种芳基硼酸的无配体和无活化剂催化 Suzuki 偶联，并具有良好的官能团耐受性。

  DOI：

  10.1002/cctc.202200440

文献信息

• Restricted Rotation in 9-Phenyl-anthracenes: A Prediction Fulfilled
  作者：Kirill Nikitin、Helge Müller-Bunz、Yannick Ortin、Jimmy Muldoon、Michael J. McGlinchey

  DOI：10.1021/ol102665y

  日期：2011.1.21

  The calculated phenyl rotation barrier in 9-phenylanthracene has been reported as similar to 21 kcal mol(-1), but experimental verification of this barrier is limited by its intrinsic symmetry. V-T NMR indicated the barrier to interconversion of the syn (C-2v) and anti (C-2h) rotamers of 9,10-bis(3-fluorophenyl)anthracene to be similar to 21 kcal mol(-1). Likewise, the V-T NMR spectra of 9-(1-naphthyl)-10-phenylanthracene reveal that the rotational barrier of the unsubstituted phenyl ring is at least 21 kcal mol(-1).
• ORGANIC ELECTROLUMINESCENT ELEMENT
  申请人：NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD.

  公开号：EP2388842B1

  公开（公告）日：2014-07-23
• ORGANIC ELECTROLUMINESCENT DEVICE
  申请人：Suda Mitsuru

  公开号：US20110272680A1

  公开（公告）日：2011-11-10

  Disclosed is a useful organic EL device which comprises a phosphorescent light-emitting layer and is endowed with improved luminous efficiency and high driving stability. Also disclosed is a hole-transporting material suitable for use in the phosphorescent light-emitting device. The hole-transporting material is a triptycene derivative which has substituents at the 9- and 10-positions and is substituted with an aromatic group containing at least one diarylamino group (—ArNAr 2 ). The organic EL device contains the triptycene derivative in at least one organic layer selected from the group of a phosphorescent light-emitting layer, a hole-transporting layer, an electron-blocking layer, and an exciton-blocking layer. The diarylamino group (—NAr 2 ) may be fused to form an aromatic heterocyclic group such as a carbazolyl group.
• US8906521B2
  申请人：——

  公开号：US8906521B2

  公开（公告）日：2014-12-09
• Nickel Bromide Catalyzed Ligand‐Free and Activator‐less Suzuki Coupling Reactions
  作者：Khadimul Islam、Vinay Arora、Vikas、Bedabara Nag、Akshai Kumar

  DOI：10.1002/cctc.202200440

  日期：2022.8.19

  Readily available and inexpensive NiBr2 has been used for the first time to accomplish the ligand-free and activator-less catalytic Suzuki coupling of a variety of aryl halides (ca. 60 examples) with several arylboronic acids in high yields under ambient conditions with good functional group tolerance.

  易于获得且价格低廉的NiBr 2首次用于在环境条件下以高产率实现各种芳基卤化物（约 60 个实例）与几种芳基硼酸的无配体和无活化剂催化 Suzuki 偶联，并具有良好的官能团耐受性。