bis((E)-2-pyren-1-yl-vinyl)-2,4,6-triisopropylphenylborane | 1159491-27-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: bis((E)-2-pyren-1-yl-vinyl)-2,4,6-triisopropylphenylborane
• 英文别名: bis((E)-2-pyren-1-ylvinyl)-2,4,6-triisopropylphenylborane；bis[(E)-2-pyren-1-ylethenyl]-[2,4,6-tri(propan-2-yl)phenyl]borane
• CAS: 1159491-27-6
• 化学式: C₅₁H₄₅B
• 分子量: 668.729
• InChiKey: HWIFKGANISMRKT-NBHCHVEOSA-N

物化性质

• 密度：
  1.16±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  14.06
• 重原子数：
  52
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  2,4,6-triisopropylphenylborane 、 1-乙炔基芘 以 四氢呋喃 为溶剂， 反应 24.0h， 以25%的产率得到bis((E)-2-pyren-1-yl-vinyl)-2,4,6-triisopropylphenylborane
  参考文献：
  名称：

  Synthesis and luminescent properties of pyrenylvinylene-substituted tripylborane

  摘要：

  A novel luminescent compound, bis((E)-2-pyren-1-yl-vinyl)-2,4,6-triisopropylphenylborane (3) was synthesized by hydroboration reaction and was fully characterized. The obtained compound was further investigated by single-crystal X-ray diffraction analysis and DFT calculations. The extended structure tells us their herringbone structures with closely faced pairs of the molecules. Comparing the photoluminescent spectra between solution-state and solid state, the spectrum of the solid state of the compound 3 exhibited dramatically red-shifted fluorescent emission. This change also supports the efficient p-stacking behavior of the compound 3. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.01.015

文献信息

• Synthesis and luminescent properties of pyrenylvinylene-substituted tripylborane
  作者：Yuuya Nagata、Yoshiki Chujo

  DOI：10.1016/j.jorganchem.2009.01.015

  日期：2009.5

  A novel luminescent compound, bis((E)-2-pyren-1-yl-vinyl)-2,4,6-triisopropylphenylborane (3) was synthesized by hydroboration reaction and was fully characterized. The obtained compound was further investigated by single-crystal X-ray diffraction analysis and DFT calculations. The extended structure tells us their herringbone structures with closely faced pairs of the molecules. Comparing the photoluminescent spectra between solution-state and solid state, the spectrum of the solid state of the compound 3 exhibited dramatically red-shifted fluorescent emission. This change also supports the efficient p-stacking behavior of the compound 3. (C) 2009 Elsevier B.V. All rights reserved.