2,9-bis[(4-cyanophenyl)ethynyl]anthracene

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 2,9-bis[(4-cyanophenyl)ethynyl]anthracene
• 英文别名: 4-[2-[9-[2-(4-Cyanophenyl)ethynyl]anthracen-2-yl]ethynyl]benzonitrile；4-[2-[9-[2-(4-cyanophenyl)ethynyl]anthracen-2-yl]ethynyl]benzonitrile
• 化学式: C₃₂H₁₆N₂
• 分子量: 428.492
• InChiKey: AIUKLFFQLDFCDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-氯蒽酮 在 copper(l) iodide 、 四(三苯基膦)钯 、 正丁基锂 、 乙基溴化镁 、 四丁基氟化铵 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 64.17h， 生成 2,9-bis[(4-cyanophenyl)ethynyl]anthracene
  参考文献：
  名称：

  Synthesis of 2,9-Diethynylanthracene Derivatives

  摘要：

  New fluorescent 2,9-diethynylanthracene derivatives ethynylated at unsymmetrical positions were synthesized. The addition of a (trialkylsilyl)ethynyllithium to 2-chloro-9-anthrone gave the corresponding 2-chloro-9-ethynylanthracene, and subsequent nickel-catalyzed coupling with a (trialkylsilyl)ethynyl Grignard reagent furnished the disilylated derivatives. These compounds were used for the synthesis of various 2,9-bis(phenylethynyl)anthracenes and dianthrylbutadiynes. UV-vis and fluorescence spectra were measured to evaluate the substituent effects on the absorption and emission bands.

  DOI：

  10.1055/s-0033-1338608

文献信息

• Synthesis of 2,9-Diethynylanthracene Derivatives
  作者：Shinji Toyota、Takahiro Kawakami、Tetsuo Iwanaga

  DOI：10.1055/s-0033-1338608

  日期：——

  New fluorescent 2,9-diethynylanthracene derivatives ethynylated at unsymmetrical positions were synthesized. The addition of a (trialkylsilyl)ethynyllithium to 2-chloro-9-anthrone gave the corresponding 2-chloro-9-ethynylanthracene, and subsequent nickel-catalyzed coupling with a (trialkylsilyl)ethynyl Grignard reagent furnished the disilylated derivatives. These compounds were used for the synthesis of various 2,9-bis(phenylethynyl)anthracenes and dianthrylbutadiynes. UV-vis and fluorescence spectra were measured to evaluate the substituent effects on the absorption and emission bands.