4-{2,5-Dihexyl-4-[(triisopropylsilanyl)-ethynyl]-phenylethynyl}-benzoic acid methyl ester | 437985-40-5

• 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-{2,5-Dihexyl-4-[(triisopropylsilanyl)-ethynyl]-phenylethynyl}-benzoic acid methyl ester
• CAS: 437985-40-5
• 化学式: C₃₉H₅₆O₂Si
• 分子量: 584.958
• InChiKey: ZMSPJXNCFBPVFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.69
• 重原子数：
  42.0
• 可旋转键数：
  14.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-{2,5-Dihexyl-4-[(triisopropylsilanyl)-ethynyl]-phenylethynyl}-benzoic acid methyl ester 在 哌啶 、 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Hybrid Composites of Monodisperse π-Conjugated Rodlike Organic Compounds and Semiconductor Quantum Particles

  摘要：

  Composite materials of quantum particles (Q-particles) arranged in layers within crystalline powders of pi-conjugated, rodlike dicarboxylic acids are reported. The synthesis of the composites, either as three-dimensional crystals or as thin films at the air-water interface, comprises a two-step process: 1) The preparation of the Cd salts 6(Cd), 8(Cd) or Pb salts 6(Pb), 8(Pb) of the oligo(p-phenyteneethynytene)dicarboxylic acids 6(H), 8(H), in which the metal ions are arranged in ribbons and are separated by the long axis of the organic molecules, as demonstrated by X-ray powder diffraction analysis of the solids and grazing incidence X-ray diffraction analysis of the films on water. 2) Topotactic solid/gas reaction of these salts with H2S to convert the metal ions into Q-particles of CdS or PbS embedded in the organic matrix that consists of the acids 6(H) and 8(H). These hybrid materials have been characterized by X-ray photoelectron spectroscopy and transmission electron microscopy.

  DOI：

  10.1002/1521-3765(20020315)8:6<1413::aid-chem1413>3.0.co;2-6
• 作为产物：
  描述：

  4-碘苯甲酸甲酯 、 2,5-dihexyl-4-(triisopropylethynyl)phenylacetylene 在 哌啶 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 以93%的产率得到4-{2,5-Dihexyl-4-[(triisopropylsilanyl)-ethynyl]-phenylethynyl}-benzoic acid methyl ester
  参考文献：
  名称：

  Hybrid Composites of Monodisperse π-Conjugated Rodlike Organic Compounds and Semiconductor Quantum Particles

  摘要：

  Composite materials of quantum particles (Q-particles) arranged in layers within crystalline powders of pi-conjugated, rodlike dicarboxylic acids are reported. The synthesis of the composites, either as three-dimensional crystals or as thin films at the air-water interface, comprises a two-step process: 1) The preparation of the Cd salts 6(Cd), 8(Cd) or Pb salts 6(Pb), 8(Pb) of the oligo(p-phenyteneethynytene)dicarboxylic acids 6(H), 8(H), in which the metal ions are arranged in ribbons and are separated by the long axis of the organic molecules, as demonstrated by X-ray powder diffraction analysis of the solids and grazing incidence X-ray diffraction analysis of the films on water. 2) Topotactic solid/gas reaction of these salts with H2S to convert the metal ions into Q-particles of CdS or PbS embedded in the organic matrix that consists of the acids 6(H) and 8(H). These hybrid materials have been characterized by X-ray photoelectron spectroscopy and transmission electron microscopy.

  DOI：

  10.1002/1521-3765(20020315)8:6<1413::aid-chem1413>3.0.co;2-6