3,3'-dioctyl-[2,2'-bithiophene]-5,5'-dicarbaldehyde | 1443505-12-1

• 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: 3,3'-dioctyl-[2,2'-bithiophene]-5,5'-dicarbaldehyde
• CAS: 1443505-12-1
• 化学式: C₂₆H₃₈O₂S₂
• 分子量: 446.719
• InChiKey: PABKJVWRQDNHKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.91
• 重原子数：
  30.0
• 可旋转键数：
  17.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-溴-3-辛基噻吩 在 盐酸 、 bis-triphenylphosphine-palladium(II) chloride 、 正丁基锂 、 四甲基乙二胺 、 六正丁基二锡 作用下， 生成 3,3'-dioctyl-[2,2'-bithiophene]-5,5'-dicarbaldehyde
  参考文献：
  名称：

  Effects of Olefin Content and Alkyl Chain Placement on Optoelectronic and Morphological Properties in Poly(thienylene vinylenes)

  摘要：

  The effects of olefin content and alkyl chain placement on the properties of two poly(thienylene vinylene)-(PTV-) based polymer series were investigated. Polymers were prepared by ruthenium-catalyzed acyclic diene metathesis (ADMET) polymerization of four dipropenyl monomers. All polymers were thoroughly characterized with a variety of spectroscopic, thermal, and electronic techniques. Tuning the olefin content had direct impacts on optical and organic solar cell (OSC) behavior while systematic changes to alkyl substitution patterns manifested as differences in optical, thermal, and microstructural properties. Density functional theory (DFT) analysis provided support for the observed differences among all polymers. In addition, C-13 NMR and IR analysis of selected polymers helped to confirm the stereochemistry of the PTV backbone.

  DOI：

  10.1021/ma4009115