(2,5-dimethyl-4-phenyl)phenylboronic acid

• 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: (2,5-dimethyl-4-phenyl)phenylboronic acid
• 英文别名: (2,5-Dimethyl-[1,1'-biphenyl]-4-yl)boronic acid；(2,5-dimethyl-4-phenylphenyl)boronic acid
• 化学式: C₁₄H₁₅BO₂
• 分子量: 226.083
• InChiKey: PZKOPCRSNXTSQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.65
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,6-二溴芘 、 (2,5-dimethyl-4-phenyl)phenylboronic acid 在 四(三苯基膦)钯 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以72.8%的产率得到1,6-bis((2,5-dimethyl-4-phenyl)phenyl)pyrene
  参考文献：
  名称：

  Highly twisted pyrene derivatives for non-doped blue OLEDs

  摘要：

  New highly twisted rigid blue light-emitting materials were designed, composed of pyrene with a xylene core unit and either naphthalene or phenyl end units. These blue-emitting materials were synthesized via the Suzuki cross-coupling reaction and their structures were confirmed using FT-IR, H-1 NMR, C-13 NMR, and mass spectroscopy. The optical, electrochemical and thermal properties of the materials were investigated. The non-coplanar structure introduced by highly twisted xylene units provides steric hindrance, resulting in very deep blue emission. The fabricated devices exhibited a maximum external quantum efficiency (EQE) of 3.69% with CIE color coordinates (x, y: 0.15, 0.06). (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2015.12.024
• 作为产物：
  描述：

  2,5-二溴-1,4-二甲基苯 在 四(三苯基膦)钯 、 正丁基锂 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 33.0h， 生成 (2,5-dimethyl-4-phenyl)phenylboronic acid
  参考文献：
  名称：

  Highly twisted pyrene derivatives for non-doped blue OLEDs

  摘要：

  New highly twisted rigid blue light-emitting materials were designed, composed of pyrene with a xylene core unit and either naphthalene or phenyl end units. These blue-emitting materials were synthesized via the Suzuki cross-coupling reaction and their structures were confirmed using FT-IR, H-1 NMR, C-13 NMR, and mass spectroscopy. The optical, electrochemical and thermal properties of the materials were investigated. The non-coplanar structure introduced by highly twisted xylene units provides steric hindrance, resulting in very deep blue emission. The fabricated devices exhibited a maximum external quantum efficiency (EQE) of 3.69% with CIE color coordinates (x, y: 0.15, 0.06). (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2015.12.024

文献信息

• Highly twisted pyrene derivatives for non-doped blue OLEDs
  作者：Sang Bong Lee、Kwang Hun Park、Chul Woong Joo、Jeong-Ik Lee、Jonghee Lee、Yun-Hi Kim

  DOI：10.1016/j.dyepig.2015.12.024

  日期：2016.5

  New highly twisted rigid blue light-emitting materials were designed, composed of pyrene with a xylene core unit and either naphthalene or phenyl end units. These blue-emitting materials were synthesized via the Suzuki cross-coupling reaction and their structures were confirmed using FT-IR, H-1 NMR, C-13 NMR, and mass spectroscopy. The optical, electrochemical and thermal properties of the materials were investigated. The non-coplanar structure introduced by highly twisted xylene units provides steric hindrance, resulting in very deep blue emission. The fabricated devices exhibited a maximum external quantum efficiency (EQE) of 3.69% with CIE color coordinates (x, y: 0.15, 0.06). (C) 2016 Elsevier Ltd. All rights reserved.