2,5-bis(4-tert-butyl-2,5-dimethoxyphenyl)thiophene | 1222993-20-5

• 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-bis(4-tert-butyl-2,5-dimethoxyphenyl)thiophene
• CAS: 1222993-20-5
• 化学式: C₂₈H₃₆O₄S
• 分子量: 468.657
• InChiKey: VREXJSJZWWWHIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.71
• 重原子数：
  33.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2,5-二溴噻吩 、 4-tert-butyl-2,5-dimethoxyphenylboronic acid 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 以70%的产率得到2,5-bis(4-tert-butyl-2,5-dimethoxyphenyl)thiophene
  参考文献：
  名称：

  Quinone Dimers Connected by 1,4-Phenylene and 2,5-Thienylene Moieties as a π Linker

  摘要：

  The synthesis and characterization of quinone dimers connected by 1,4-phenylene (QPQ) and 2,5-thienylene (QTQ) linkers are described. QPQ and QTQ were synthesized by means of Suzuki coupling and subsequent oxidation. Significant bathochromic shifts were observed in the electronic absorption spectra of QPQ and QTQ as compared to that of the quinine dimers without a linker. In addition, cyclic voltammetry and DFT calculations demonstrated that QTQ was a stronger electron acceptor than QPQ due to its planar structure, even though QTQ contains an electron-rich thiophene ring.

  DOI：

  10.3987/com-09-s(s)108