Trifluoro-methanesulfonic acid 3,5-bis-[4,5-bis-(3,5-di-tert-butyl-phenylethynyl)-2-methoxy-phenylethynyl]-phenyl ester | 598297-31-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: Trifluoro-methanesulfonic acid 3,5-bis-[4,5-bis-(3,5-di-tert-butyl-phenylethynyl)-2-methoxy-phenylethynyl]-phenyl ester
• 英文别名: [3,5-Bis[2-[4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]-2-methoxyphenyl]ethynyl]phenyl] trifluoromethanesulfonate
• CAS: 598297-31-5
• 化学式: C₈₉H₉₇F₃O₅S
• 分子量: 1335.81
• InChiKey: ZHRKASXCNLDBLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  28.1
• 重原子数：
  98
• 可旋转键数：
  24
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  70.2
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-乙炔基苝 、 Trifluoro-methanesulfonic acid 3,5-bis-[4,5-bis-(3,5-di-tert-butyl-phenylethynyl)-2-methoxy-phenylethynyl]-phenyl ester 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 以55%的产率得到3-{3,5-Bis-[4,5-bis-(3,5-di-tert-butyl-phenylethynyl)-2-methoxy-phenylethynyl]-phenylethynyl}-perylene
  参考文献：
  名称：

  Synthesis and Optical Properties of Unsymmetrical Conjugated Dendrimers Focally Anchored with Perylenes in Different Geometries

  摘要：

  Two sets of light-harvesting monodendrons with unsymmetrical conjugated phenylacetylene branches and perylene cores, one with pi-conjugation from the branches to the core and one without, were synthesized and their photophysical properties were studied by steady-state and time-resolved spectroscopic methods. These monodendrons show comparably high fluorescence quantum yields and efficient energy-transfer properties.

  DOI：

  10.1021/jo0346858
• 作为产物：
  描述：

  1,2-Bis[2-(3,5-ditert-butylphenyl)ethynyl]-4-ethynyl-5-methoxybenzene 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 吡啶 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 Trifluoro-methanesulfonic acid 3,5-bis-[4,5-bis-(3,5-di-tert-butyl-phenylethynyl)-2-methoxy-phenylethynyl]-phenyl ester
  参考文献：
  名称：

  Synthesis and Optical Properties of Unsymmetrical Conjugated Dendrimers Focally Anchored with Perylenes in Different Geometries

  摘要：

  Two sets of light-harvesting monodendrons with unsymmetrical conjugated phenylacetylene branches and perylene cores, one with pi-conjugation from the branches to the core and one without, were synthesized and their photophysical properties were studied by steady-state and time-resolved spectroscopic methods. These monodendrons show comparably high fluorescence quantum yields and efficient energy-transfer properties.

  DOI：

  10.1021/jo0346858

文献信息

• Synthesis and Optical Properties of Unsymmetrical Conjugated Dendrimers Focally Anchored with Perylenes in Different Geometries
  作者：Yongchun Pan、Meng Lu、Zhonghua Peng、Joseph S. Melinger

  DOI：10.1021/jo0346858

  日期：2003.9.1

  Two sets of light-harvesting monodendrons with unsymmetrical conjugated phenylacetylene branches and perylene cores, one with pi-conjugation from the branches to the core and one without, were synthesized and their photophysical properties were studied by steady-state and time-resolved spectroscopic methods. These monodendrons show comparably high fluorescence quantum yields and efficient energy-transfer properties.