1,3,6,8-tetrakis(7-tert-butylpyrene-1-yl)pyrene | 1123568-77-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1,3,6,8-tetrakis(7-tert-butylpyrene-1-yl)pyrene
• 英文别名: 1,3,6,8-tetrakis(7-tert-butyl-1-pyrenyl)pyrene；1,3,6,8-Tetrakis(7-tert-butylpyren-1-yl)pyrene；1,3,6,8-tetrakis(7-tert-butylpyren-1-yl)pyrene
• CAS: 1123568-77-3
• 化学式: C₉₆H₇₄
• 分子量: 1227.64
• InChiKey: KAYODADKHNBZCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  30.7
• 重原子数：
  96
• 可旋转键数：
  8
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.17
• 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：

  1,3,2-二氧杂硼烷,2-[7-(1,1-二甲基乙基)-1-芘基]-4,4,5,5-四甲基- 、 1,3,6,8-四溴芘 在 四(三苯基膦)钯 、 甲基三辛基氯化铵 、 potassium carbonate 作用下， 以 水 、 甲苯 为溶剂， 反应 48.0h， 以42%的产率得到1,3,6,8-tetrakis(7-tert-butylpyrene-1-yl)pyrene
  参考文献：
  名称：

  聚py树枝状聚合物。

  摘要：

  DOI：

  10.1002/anie.200803408

文献信息

• Polypyrene Dendrimers
  作者：Teresa M. Figueira-Duarte、Sascha C. Simon、Manfred Wagner、Sergey I. Druzhinin、Klaas A. Zachariasse、Klaus Müllen

  DOI：10.1002/anie.200803408

  日期：2008.12.15
• Synthesis and fluorescence emission properties of 1,3,6,8-tetraarylpyrenes
  作者：Jian-Yong Hu、Xing Feng、Hirotsugu Tomiyasu、Nobuyuki Seto、Ummey Rayhan、Mark R.J. Elsegood、Carl Redshaw、Takehiko Yamato

  DOI：10.1016/j.molstruc.2013.04.074

  日期：2013.9

  Three types of stable pyrene-based highly fluorescence (blue) compounds, 1-, 1,6-bis, 1,8-bis and 1,3,6,8-tetrakis(7-tert-butylpyrenyl)pyrenes and 1,3,6,8-tetrakis[9,9-bis(3-methylbutyl)-9H-fluoren-2-yl]pyrene, were successfully synthesized via a Pd/Cu-catalysed Suzuki cross-coupling reaction of the corresponding bromopyrenes with 7-tert-butyl-1-pyrenylboronic ester or 2[9,9-bis(3-methylbutyl)-9H-fluoren-2-yl]-4,4,5,5-tetramethyl[1,3,2]dioxaborolane, respectively. All compounds have good solubility in common organic solvents and high thermal stability with melting points up to 270 degrees C; the exceptions are the isomeric 1,6-bis-, and 1,8-bispyrenyl-substituted pyrenes. All products show high extinction coefficients of absorption (lambda(max)approximate to 349-396 nm) and high quantum yields (lambda(max)approximate to 432-465 nm; Phi(f)approximate to 0.75-0.99) in dichloromethane solution, and emit strong fluorescence in the visible region ranging from deep-blue to pure-blue on increasing the number of substituents. This data suggests that such systems have promise as blue emitters in organic light-emitting device (OLED) applications (OLED = organic light emitting diode). Crystal structures were determined for 1,3,6,8-tetrakis [9,9-bis(3-methylbutyl)-9H-fluoren-2-yl] pyrene and 1,3,6,8-tetrakis(4-methoxyphenyl)pyrene. (C) 2013 Elsevier B.V. All rights reserved.