9-[3-(2,5-Bis-trimethylsilanylethynyl-phenyl)-propyl]-anthracene | 885693-91-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 9-[3-(2,5-Bis-trimethylsilanylethynyl-phenyl)-propyl]-anthracene
• CAS: 885693-91-4
• 化学式: C₃₃H₃₆Si₂
• 分子量: 488.82
• InChiKey: OOLOVIVKZCRZJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.63
• 重原子数：
  35.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  9-[3-(2,5-Bis-trimethylsilanylethynyl-phenyl)-propyl]-anthracene 在 potassium carbonate 作用下， 生成 9-(3-(2,5-diethynylphenyl)propyl)anthracene
  参考文献：
  名称：

  Synthesis and spectroscopy of anthracene-containing linear and ‘T’-shaped π-conjugated ligands

  摘要：

  A range of new it-conjugated ethynyl- and diethynyl-benzene ligands has been synthesised and their spectroscopic characterisation carried out, most notably via IR and H-1 NMR. X-ray crystal structures were obtained for three of these ligands and one unusual ruthenium complex. Both the 4-ethynyl- and 2,5-diethynyl-benzene cores of these compounds have been functionalised through organic transformations by addition of an 9-anthracenyl. This has been attached via a range of linker moieties that vary in both their length and degree of pi-conjugation. This has given rise to two groups of compounds with either a linear, e.g., 9-(2-(4-ethynylphenyl)ethynediyl)anthracene and 9-(2-(4-ethynylphenyl)ethyl)anthracene, or 'T'-shaped morphologies, e.g., 9-(2-(2,5-diethylnylphenyl)ethyl)anthracene. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.12.024
• 作为产物：
  描述：

  9-(3-(2,5-dibromophenyl)prop-2-enoneyl)anthracene 在 bis-triphenylphosphine-palladium(II) chloride sodium tetrahydroborate 、 copper(l) iodide 、 碘代三甲硅烷 、 二异丙胺 作用下， 以 1,4-二氧六环 、 甲醇 、 正己烷 、 二氯甲烷 、 乙腈 为溶剂， 反应 2.0h， 生成 9-[3-(2,5-Bis-trimethylsilanylethynyl-phenyl)-propyl]-anthracene
  参考文献：
  名称：

  Synthesis and spectroscopy of anthracene-containing linear and ‘T’-shaped π-conjugated ligands

  摘要：

  A range of new it-conjugated ethynyl- and diethynyl-benzene ligands has been synthesised and their spectroscopic characterisation carried out, most notably via IR and H-1 NMR. X-ray crystal structures were obtained for three of these ligands and one unusual ruthenium complex. Both the 4-ethynyl- and 2,5-diethynyl-benzene cores of these compounds have been functionalised through organic transformations by addition of an 9-anthracenyl. This has been attached via a range of linker moieties that vary in both their length and degree of pi-conjugation. This has given rise to two groups of compounds with either a linear, e.g., 9-(2-(4-ethynylphenyl)ethynediyl)anthracene and 9-(2-(4-ethynylphenyl)ethyl)anthracene, or 'T'-shaped morphologies, e.g., 9-(2-(2,5-diethylnylphenyl)ethyl)anthracene. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.12.024