1,3,5-三甲氧基-2,4,6-三[2-(4-硝基苯基)乙炔基]苯 | 793684-44-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 中文名称: 1,3,5-三甲氧基-2,4,6-三[2-(4-硝基苯基)乙炔基]苯
• 英文名称: 1,3,5-tris[(4-nitrophenyl)ethynyl]-2,4,6-tris(methyloxy)benzene
• 英文别名: 1,3,5-tris-(4-nitrophenylethynyl)-2,4,6-trimethoxybenzene；1,1',1''-[(2,4,6-Trimethoxybenzene-1,3,5-triyl)tri(ethyne-2,1-diyl)]tris(4-nitrobenzene)；1,3,5-trimethoxy-2,4,6-tris[2-(4-nitrophenyl)ethynyl]benzene
• CAS: 793684-44-3
• 化学式: C₃₃H₂₁N₃O₉
• 分子量: 603.544
• InChiKey: GDXOREUKIWCUQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  45
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  165
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1,3,5-三氟-2,4,6-tri碘苯 在 1,3-二甲基-2-咪唑啉酮 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 potassium carbonate 、 二异丙胺 作用下， 以 甲醇 为溶剂， 反应 90.0h， 生成 1,3,5-三甲氧基-2,4,6-三[2-(4-硝基苯基)乙炔基]苯
  参考文献：
  名称：

  Synthesis and spectroscopic properties of 1,3,5-tris(arylalkynyl)-2,4,6-trimethoxybenzenes

  摘要：

  A number of C-3-symetric 1,3,5-tris(arylalkynyl)-2,4,6-trimethoxybenzenes which carry electron withdrawing aryl substituents at the acetylenic periphery and donating methoxy groups on the central benzene ring are prepared via Sonogashira coupling. The utility of two different synthetic routes is evaluated as well as the effect of the nature of the aryl and ethynyl starting compounds in the coupling reaction. Finally, a correlation between the substitution pattern of the alkynyl compounds and their UV-vis and fluorescence spectroscopic properties is established. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.08.036

文献信息

• Synthesis and spectroscopic properties of 1,3,5-tris(arylalkynyl)-2,4,6-trimethoxybenzenes
  作者：Gunther Hennrich

  DOI：10.1016/j.tet.2004.08.036

  日期：2004.10

  A number of C-3-symetric 1,3,5-tris(arylalkynyl)-2,4,6-trimethoxybenzenes which carry electron withdrawing aryl substituents at the acetylenic periphery and donating methoxy groups on the central benzene ring are prepared via Sonogashira coupling. The utility of two different synthetic routes is evaluated as well as the effect of the nature of the aryl and ethynyl starting compounds in the coupling reaction. Finally, a correlation between the substitution pattern of the alkynyl compounds and their UV-vis and fluorescence spectroscopic properties is established. (C) 2004 Elsevier Ltd. All rights reserved.