5-(pyren-1-yl)-3,3-bis(pyren-1-ylethynyl)pent-4-yn-1-yl pivalate | 1415568-98-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 5-(pyren-1-yl)-3,3-bis(pyren-1-ylethynyl)pent-4-yn-1-yl pivalate
• 英文别名: [5-Pyren-1-yl-3,3-bis(2-pyren-1-ylethynyl)pent-4-ynyl] 2,2-dimethylpropanoate；[5-pyren-1-yl-3,3-bis(2-pyren-1-ylethynyl)pent-4-ynyl] 2,2-dimethylpropanoate
• CAS: 1415568-98-7
• 化学式: C₆₂H₄₀O₂
• 分子量: 816.998
• InChiKey: JEZFYUSEZRQNAL-UHFFFAOYSA-N

物化性质

• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  17.5
• 重原子数：
  64
• 可旋转键数：
  11
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,3-bis[(triethylsilyl)ethynyl]-5-(triethylsilyl)pent-4-yn-1-ol 在 4-二甲氨基吡啶 、 copper(l) iodide 、 四(三苯基膦)钯 、 四丁基氟化铵 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 5-(pyren-1-yl)-3,3-bis(pyren-1-ylethynyl)pent-4-yn-1-yl pivalate
  参考文献：
  名称：

  Triethynylmethane: a molecular unit inducing excimer-like emission in aggregated states of hydrocarbon fluorophores

  摘要：

  We report the synthesis of triethynylmethane (TEM) derivatives substituted with fluorescent aromatic hydrocarbons and the fluorescence properties in dilute aqueous solution and in spin-coated film. Pyrene-tethered TEM derivatives showed excimer-like fluorescence in 80% water in THF and spin-coated film. UV and H-1 NMR analyses showed the aggregation of TEM derivatives. Phenanthrene-tethered TEM also showed excimer-like fluorescence in high water content in THF. These data showed that TEM is a novel molecular unit inducing excimer-like emission in the aggregated states of aromatic hydrocarbon fluorophores. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.10.093

文献信息

• Triethynylmethane: a molecular unit inducing excimer-like emission in aggregated states of hydrocarbon fluorophores
  作者：Takahiro Otabe、Saki Matsumoto、Hiroki Nakagawa、Changfeng Hong、Chikara Dohno、Kazuhiko Nakatani

  DOI：10.1016/j.tetlet.2012.10.093

  日期：2013.1

  We report the synthesis of triethynylmethane (TEM) derivatives substituted with fluorescent aromatic hydrocarbons and the fluorescence properties in dilute aqueous solution and in spin-coated film. Pyrene-tethered TEM derivatives showed excimer-like fluorescence in 80% water in THF and spin-coated film. UV and H-1 NMR analyses showed the aggregation of TEM derivatives. Phenanthrene-tethered TEM also showed excimer-like fluorescence in high water content in THF. These data showed that TEM is a novel molecular unit inducing excimer-like emission in the aggregated states of aromatic hydrocarbon fluorophores. (C) 2012 Elsevier Ltd. All rights reserved.