4'-{[2.2]paracyclophan-4-ylethynyl}-thiophene

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 4'-{[2.2]paracyclophan-4-ylethynyl}-thiophene
• 英文别名: 3-[2-(5-Tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethynyl]thiophene；3-[2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethynyl]thiophene
• 化学式: C₂₂H₁₈S
• 分子量: 314.451
• InChiKey: PXNLHIMTLAEYOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-碘噻吩 、 4-ethynyl-[2.2]-p-cyclophane 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 21.0h， 以97%的产率得到4'-{[2.2]paracyclophan-4-ylethynyl}-thiophene
  参考文献：
  名称：

  Synthesis and Structural Properties of Cyclophanes Containing Thiophene Rings in the Side-chain

  摘要：

  The synthesis of some cyclophanes bearing in the linear side-chain carbon-carbon triple bonds conjugated with thiophene rings has been reported. Structure analysis of the products based on extensive NMR investigation is presented. UV-Vis absorption spectra and fluorescence spectra have been measured. The analysis of the spectra points out a correlation between the maxima and the structure of the side-chain. The replacement of a benzene ring with a thiophene ring causes a bathochromic shift when the benzene ring close to the paracyclophane moiety is replaced.

  DOI：

  10.3987/com-06-10736

文献信息

• Synthesis and Structural Properties of Cyclophanes Containing Thiophene Rings in the Side-chain
  作者：Aldo Taticchi、Assunta Marrocchi、Lucio Minuti、Selvaggia Landi、Eszter Gacs-Baitz

  DOI：10.3987/com-06-10736

  日期：——

  The synthesis of some cyclophanes bearing in the linear side-chain carbon-carbon triple bonds conjugated with thiophene rings has been reported. Structure analysis of the products based on extensive NMR investigation is presented. UV-Vis absorption spectra and fluorescence spectra have been measured. The analysis of the spectra points out a correlation between the maxima and the structure of the side-chain. The replacement of a benzene ring with a thiophene ring causes a bathochromic shift when the benzene ring close to the paracyclophane moiety is replaced.