2,6-(4-t-BuC6H4)2C6H3Br | 332104-80-0

• 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: 2,6-(4-t-BuC6H4)2C6H3Br
• 英文别名: 2-Bromo-1,3-bis(4-tert-butylphenyl)benzene
• CAS: 332104-80-0
• 化学式: C₂₆H₂₉Br
• 分子量: 421.42
• InChiKey: MDOCKWPRSFSMGU-UHFFFAOYSA-N

物化性质

• 沸点：
  462.3±14.0 °C(Predicted)
• 密度：
  1.140±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2,6-(4-t-BuC6H4)2C6H3Br 在 四(三苯基膦)钯 、 正丁基锂 、 potassium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 24.0h， 生成 9-[4-[2,6-Bis(4-tert-butylphenyl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-1,3-ditert-butylcarbazole
  参考文献：
  名称：

  HETEROCYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE

  摘要：

  A light-emitting device includes a first electrode, a second electrode facing the first electrode, an interlayer between the first electrode and the second electrode and including an emission layer, and at least one heterocyclic compound represented by Formula 1. An electronic apparatus including the light-emitting device is also provided: Formula 1 is the same as described herein.

  公开号：

  US20230172064A1

文献信息

• Synthesis and Characterization of a Sterically Encumbered Unsymmetrical 9-Borafluorene, Its Pyridine Adduct, and Its Dilithium Salt
  作者：Rudolf J. Wehmschulte、Masood A. Khan、Brendan Twamley、Berthold Schiemenz

  DOI：10.1021/om000868y

  日期：2001.3.1

  The reaction of 2,6-(4-t-BuC6H4)(2)C6H3Li with BH2Cl . SMe2 in hexane or Et2O solution affords the terphenyl-substituted unsymmetrical 9-borafluorene 1-(4-tert-butylphenyl)-7-tertbutyl-9-(bis-2,6-(4-tert-butylphenyl)phenyl)-9-borafluorene (1) in good to moderate yields. Addition of pyridine gives the colorless crystalline adduct 1.py. Compound 1 is readily reduced to the deep red heteroaromatic dianionic (mu (2)-eta (5),eta (5)-1-(4-tert-butylphenyl)-7-tert-butyl-9-(bis-2,6-(4-tert-butylphenyl)phenyl)-9-borafluorenyl)bis(diethyl ether)dilithium (2) with excess lithium powder in Et2O solution. Reactions of the dianionic 2 with various metal salts leads to reduction of these salts, and bright yellow 1 is recovered in essentially quantitative yields. Compounds 1, 1.py, and 2 were characterized by H-1,C-13, and B-11 NMR spectroscopy and compounds 1.py and 2 also by single-crystal X-ray diffraction.
• Unsymmetrical 9-Borafluorenes via Low-Temperature C−H Activation of <i>m</i>-Terphenylboranes
  作者：Rudolf J. Wehmschulte、Armando A. Diaz、Masood A. Khan

  DOI：10.1021/om020611v

  日期：2003.1.1

  The reaction of 2,6-(4-t-BuC6H4)(2)C6H3Li and with H2ClB.SMe2 or HCl2B.SMe2 in hexane solution afforded the m-terphenyl-substituted unsymmetrical 9-borafluorene 1-(4-tertbutylphenyl)-7-tert-butyl-9-(bis-2,6-(4-tert-butylphenyl)phenyl)-9-borafluorene, 1, in good to moderate yields. The related reaction of 2,6-(3,5-Me2C6H3)(2)C6H3Li with BH2Cl.SMe2 or BHCl2.SMe2 in toluene solution gave 1-(3,5-dimethylphenyl)-6,8-dimethyl-9-(bis-2,6-(3,5-dimethylphenyl)phenyl)-9-borafluorene, 3. Compounds 1 and 3 are air-stable fluorescent solids. The reactions of 2,6-(2-MeC6H4)(2)C6H3Li or 2,6-Mes(2)C(6)H(3)Li (which possess either two or no o- and o"-hydrogens) with H2ClB.SMe2 gave the primary boranes [2,6-(2-MeC6H4)(2)C6H3BH2](2), 4, and [2,6-Mes(2)C(6)H(3)BH(2)](2), 5, respectively. Quenching of the reaction of 2,6-(4-tBuC(6)H(4))(2)C6H3Li with H2ClB.SMe2 after 1.5 h with pyridine resulted in the isolation of the primary borane [2,6-(4-t-BuC6H4)(2)C6H3BH2](2), 2, as the pyridine adduct 2.py, which after thermolysis at 190 degreesC gave 1-(4-tert-butylphenyl)-7-tert-butyl-9-borafluorene-pyridine, 7.py. Heating a C6D6 solution of 4 to 60-70 degreesC led to C-H activation and formation of a 1:1 adduct of monomeric 4 and 1-(2-methylphenyl)-5-methyl-9-borafluorene, 12. Reaction of 2 equiv of 2,6-(4-t-BuC6H4)(2)C6H3Li with H2ClB.SMe2 in hexane solution followed by addition of THF gave the very crowded diterphenyl borate [2,6-(4-t-BuC6H4)(2)C6H3](2)B(mu-H)(2)Li(THF)(2)](2), 11, which can be converted to I by simple addition of water. Prolonged exposure of I to concentrated aqueous HCl led to B-C bond cleavage and formation of the sterically very crowded diterphenylborinic acid [2,6-(4-t-BuC6H4)(2)C6H3](2)BOH, 15. All compounds have been characterized by H-1, C-13, and B-11 NMR spectroscopy and mass spectrometry, and compounds 1, 4, and 11 have also been characterized by single-crystal X-ray crystallography.
• HETEROCYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE
  申请人：Samsung Display Co., Ltd.

  公开号：US20230172064A1

  公开（公告）日：2023-06-01

  A light-emitting device includes a first electrode, a second electrode facing the first electrode, an interlayer between the first electrode and the second electrode and including an emission layer, and at least one heterocyclic compound represented by Formula 1. An electronic apparatus including the light-emitting device is also provided: Formula 1 is the same as described herein.