2-[5-[5-[4-(Cyanomethyl)thiophen-2-yl]-3,4-dihexylthiophen-2-yl]thiophen-3-yl]acetonitrile | 1239969-10-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 2-[5-[5-[4-(Cyanomethyl)thiophen-2-yl]-3,4-dihexylthiophen-2-yl]thiophen-3-yl]acetonitrile
• 英文别名: 2-[5-[5-[4-(cyanomethyl)thiophen-2-yl]-3,4-dihexylthiophen-2-yl]thiophen-3-yl]acetonitrile
• CAS: 1239969-10-8
• 化学式: C₂₈H₃₄N₂S₃
• 分子量: 494.789
• InChiKey: DMWLIIIQIWBOSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  33
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  132
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-噻吩甲醛 、 2-[5-[5-[4-(Cyanomethyl)thiophen-2-yl]-3,4-dihexylthiophen-2-yl]thiophen-3-yl]acetonitrile 在 cesium hydroxide 作用下， 以 四氢呋喃 、 叔丁醇 为溶剂， 反应 1.75h， 以15%的产率得到
  参考文献：
  名称：

  Synthesis and electronic properties of terthienyls β-substituted by (thienyl)cyanovinylene groups

  摘要：

  Terthienyls functionalized at their two outer beta,beta'-positions by 2- and 3-(thienyl)cyanovinyl groups have been synthesized by basic condensation. The analysis of their electronic properties by UV-vis spectroscopy and cyclic voltammetry shows that the mode of derivatization affects essentially the LUMO level of the conjugated system. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.05.147
• 作为产物：
  描述：

  5-[5-(4-Formylthiophen-2-yl)-3,4-dihexylthiophen-2-yl]thiophene-3-carbaldehyde 、 对甲基苯磺酰甲基异腈 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 生成 2-[5-[5-[4-(Cyanomethyl)thiophen-2-yl]-3,4-dihexylthiophen-2-yl]thiophen-3-yl]acetonitrile
  参考文献：
  名称：

  Synthesis and electronic properties of terthienyls β-substituted by (thienyl)cyanovinylene groups

  摘要：

  Terthienyls functionalized at their two outer beta,beta'-positions by 2- and 3-(thienyl)cyanovinyl groups have been synthesized by basic condensation. The analysis of their electronic properties by UV-vis spectroscopy and cyclic voltammetry shows that the mode of derivatization affects essentially the LUMO level of the conjugated system. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.05.147

文献信息

• Synthesis and electronic properties of terthienyls β-substituted by (thienyl)cyanovinylene groups
  作者：Dora Demeter、Magali Allain、Philippe Leriche、Ion Grosu、Jean Roncali

  DOI：10.1016/j.tetlet.2010.05.147

  日期：2010.8

  Terthienyls functionalized at their two outer beta,beta'-positions by 2- and 3-(thienyl)cyanovinyl groups have been synthesized by basic condensation. The analysis of their electronic properties by UV-vis spectroscopy and cyclic voltammetry shows that the mode of derivatization affects essentially the LUMO level of the conjugated system. (C) 2010 Elsevier Ltd. All rights reserved.