2,5-bis{(E)-2-[4-(tert-butylsulfanyl)phenyl]ethenyl}thiophene | 1431984-41-6

• 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: 2,5-bis{(E)-2-[4-(tert-butylsulfanyl)phenyl]ethenyl}thiophene
• 英文别名: 2,5-bis[(E)-2-(4-tert-butylsulfanylphenyl)ethenyl]thiophene
• CAS: 1431984-41-6
• 化学式: C₂₈H₃₂S₃
• 分子量: 464.76
• InChiKey: CUABGARYWZXSQF-FNCQTZNRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  78.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,5-噻吩二甲醛 、 diethyl [4-(tert-butylsulfanyl)benzyl]phosphonate 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以48%的产率得到2,5-bis{(E)-2-[4-(tert-butylsulfanyl)phenyl]ethenyl}thiophene
  参考文献：
  名称：

  The synthesis of π-electron molecular rods with a thiophene or thieno[3,2-b]thiophene core unit and sulfur alligator clips

  摘要：

  A series of short oligo(p-phenylene-ethynylene)- and oligo(p-phenylenevinylene)-type molecular rods with an electronically rich thiophene or thieno[3,2-b]thiophene core unit and sulfur anchoring groups (AcS-, t-BuS-) at the termini have been synthesised using Sonogashira coupling or Homer-Wads-worth-Emmons (E)-olefination methodology. The collection of linear/bent, conjugated/cross-conjugated systems has been characterised by UV-vis and fluorescence spectroscopy, optical/calculated HOMO-LUMO gaps and calculated excitation energies. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.03.084

文献信息

• The synthesis of π-electron molecular rods with a thiophene or thieno[3,2-b]thiophene core unit and sulfur alligator clips
  作者：Arnošt Seidler、Jiří Svoboda、Václav Dekoj、Jana Vacek Chocholoušová、Jaroslav Vacek、Irena G. Stará、Ivo Starý

  DOI：10.1016/j.tetlet.2013.03.084

  日期：2013.5

  A series of short oligo(p-phenylene-ethynylene)- and oligo(p-phenylenevinylene)-type molecular rods with an electronically rich thiophene or thieno[3,2-b]thiophene core unit and sulfur anchoring groups (AcS-, t-BuS-) at the termini have been synthesised using Sonogashira coupling or Homer-Wads-worth-Emmons (E)-olefination methodology. The collection of linear/bent, conjugated/cross-conjugated systems has been characterised by UV-vis and fluorescence spectroscopy, optical/calculated HOMO-LUMO gaps and calculated excitation energies. (C) 2013 Elsevier Ltd. All rights reserved.