(4-trimethylsilylethynyl-phenyl)-tris[4-(4-(p-methoxybenzyloxycarbonyl)phenylethynyl)phenyl]silane | 946568-85-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4-trimethylsilylethynyl-phenyl)-tris[4-(4-(p-methoxybenzyloxycarbonyl)phenylethynyl)phenyl]silane
• 英文别名: (4-Methoxyphenyl)methyl 4-[2-[4-[bis[4-[2-[4-[(4-methoxyphenyl)methoxycarbonyl]phenyl]ethynyl]phenyl]-[4-(2-trimethylsilylethynyl)phenyl]silyl]phenyl]ethynyl]benzoate；(4-methoxyphenyl)methyl 4-[2-[4-[bis[4-[2-[4-[(4-methoxyphenyl)methoxycarbonyl]phenyl]ethynyl]phenyl]-[4-(2-trimethylsilylethynyl)phenyl]silyl]phenyl]ethynyl]benzoate
• CAS: 946568-85-0
• 化学式: C₈₀H₆₄O₉Si₂
• 分子量: 1225.55
• InChiKey: NTVNDVUERMHTRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.59
• 重原子数：
  91
• 可旋转键数：
  27
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (4-trimethylsilylethynyl-phenyl)-tris[4-(4-(p-methoxybenzyloxycarbonyl)phenylethynyl)phenyl]silane 在 四丁基氟化铵 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以52%的产率得到(4-ethynyl-phenyl)-tris[4-(4-(p-methoxybenzyloxycarbonyl)phenylethynyl)phenyl]silane
  参考文献：
  名称：

  Tripodal pyrene chromophores for semiconductor sensitization: new footprint design

  摘要：

  Large footprint tripodal linkers for metal oxide nanoparticle sensitization, substituted with pyrene as the dye, and three COOR binding groups in para or meta position, were prepared to study the effect of the anchoring group position and of the footprint size on the sensitization processes. Two tripods based on tetraphenylsilane, (1-pyrenyl-4-ethynyl-phenyl)-tris(4-carbomethoxyphenyl-4-ethynylphenyl) silane, and (1-pyrenyl-4-ethynyl-phenyl)-tris(4-(4-methoxybenzyloxycarbonyl) phenyl-4-ethynyl-phenyl) silane, decomposed during hydrolysis, while the tetraphenyladamantane derivative, 1-(1-pyrenyl-4-ethynyl-phenyl)-3,5,7-(3-carbomethoxyphenyl-4-ethynyl-phenyl)adamantane, was chemically stable and was readily converted into the corresponding acid and bound to TiO2 films. The FT-IR-ATR spectrum of 1-(1-pyrenyl-p-ethynyl-phenyl)-3,5,7-(3-carboxyphenyl-4-ethynyl-phenyl) adamantane bound to TiO2 nanoparticles showed bands characteristic of carboxylate bidentate bonds. The UV -vis absorption and fluorescence emission in THF solution at room temperature were typical of pyrenes substituted with oligophenyleneethynylene linkers. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.05.055
• 作为产物：
  描述：

  4-methoxybenzyl 4-trimethylsilylethynylbenzoate 在 bis(dibenzylideneacetone)-palladium⁽⁰⁾ copper(l) iodide 、 四丁基氟化铵 、 N,N-二异丙基乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 49.0h， 生成 (4-trimethylsilylethynyl-phenyl)-tris[4-(4-(p-methoxybenzyloxycarbonyl)phenylethynyl)phenyl]silane
  参考文献：
  名称：

  Tripodal pyrene chromophores for semiconductor sensitization: new footprint design

  摘要：

  Large footprint tripodal linkers for metal oxide nanoparticle sensitization, substituted with pyrene as the dye, and three COOR binding groups in para or meta position, were prepared to study the effect of the anchoring group position and of the footprint size on the sensitization processes. Two tripods based on tetraphenylsilane, (1-pyrenyl-4-ethynyl-phenyl)-tris(4-carbomethoxyphenyl-4-ethynylphenyl) silane, and (1-pyrenyl-4-ethynyl-phenyl)-tris(4-(4-methoxybenzyloxycarbonyl) phenyl-4-ethynyl-phenyl) silane, decomposed during hydrolysis, while the tetraphenyladamantane derivative, 1-(1-pyrenyl-4-ethynyl-phenyl)-3,5,7-(3-carbomethoxyphenyl-4-ethynyl-phenyl)adamantane, was chemically stable and was readily converted into the corresponding acid and bound to TiO2 films. The FT-IR-ATR spectrum of 1-(1-pyrenyl-p-ethynyl-phenyl)-3,5,7-(3-carboxyphenyl-4-ethynyl-phenyl) adamantane bound to TiO2 nanoparticles showed bands characteristic of carboxylate bidentate bonds. The UV -vis absorption and fluorescence emission in THF solution at room temperature were typical of pyrenes substituted with oligophenyleneethynylene linkers. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.05.055

文献信息

• Tripodal pyrene chromophores for semiconductor sensitization: new footprint design
  作者：Sujatha Thyagarajan、Aiping Liu、Olumide A. Famoyin、Massimiliano Lamberto、Elena Galoppini

  DOI：10.1016/j.tet.2007.05.055

  日期：2007.8

  Large footprint tripodal linkers for metal oxide nanoparticle sensitization, substituted with pyrene as the dye, and three COOR binding groups in para or meta position, were prepared to study the effect of the anchoring group position and of the footprint size on the sensitization processes. Two tripods based on tetraphenylsilane, (1-pyrenyl-4-ethynyl-phenyl)-tris(4-carbomethoxyphenyl-4-ethynylphenyl) silane, and (1-pyrenyl-4-ethynyl-phenyl)-tris(4-(4-methoxybenzyloxycarbonyl) phenyl-4-ethynyl-phenyl) silane, decomposed during hydrolysis, while the tetraphenyladamantane derivative, 1-(1-pyrenyl-4-ethynyl-phenyl)-3,5,7-(3-carbomethoxyphenyl-4-ethynyl-phenyl)adamantane, was chemically stable and was readily converted into the corresponding acid and bound to TiO2 films. The FT-IR-ATR spectrum of 1-(1-pyrenyl-p-ethynyl-phenyl)-3,5,7-(3-carboxyphenyl-4-ethynyl-phenyl) adamantane bound to TiO2 nanoparticles showed bands characteristic of carboxylate bidentate bonds. The UV -vis absorption and fluorescence emission in THF solution at room temperature were typical of pyrenes substituted with oligophenyleneethynylene linkers. (C) 2007 Elsevier Ltd. All rights reserved.