1,3-Bis(4-butylphenyl)-4,5-bis(5-thiophen-2-ylthiophen-2-yl)imidazole-2-thione | 1236771-90-6

• 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: 1,3-Bis(4-butylphenyl)-4,5-bis(5-thiophen-2-ylthiophen-2-yl)imidazole-2-thione
• CAS: 1236771-90-6
• 化学式: C₃₉H₃₆N₂S₅
• 分子量: 693.058
• InChiKey: SPNOBNDFTWEPHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  46
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  152
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4,5-di([2,2'-bithiophen]-5-yl)-1,3-bis(4-butylphenyl)-1H-imidazol-3-ium chloride 在 potassium carbonate 、 sulfur 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以98%的产率得到1,3-Bis(4-butylphenyl)-4,5-bis(5-thiophen-2-ylthiophen-2-yl)imidazole-2-thione
  参考文献：
  名称：

  Design, Synthesis, and Study of Main Chain Poly(N-Heterocyclic Carbene) Complexes: Applications in Electrochromic Devices

  摘要：

  A series of poly(N-heterocyclic carbene) complexes in which the carbene functionalities are orthogonally connected to the main chains of the respective polymers have been synthesized via oxidative electropolymerization of various bis(bithiophene)-substituted monomers with appended transition metal or main group entities (M = Ir, Au, Ag, or S). The polymers were characterized using a range of electrochemical, X-ray photoelectron spectroscopy, UV-vis spectroscopy, profilometry, and four-point probe conductivity measurements. Most of the polymers exhibited an intense absorbance wave at 700 nm under oxidative conditions which was attributable to the formation of polarons along the main chains. The iridium-containing thin film poly(8) was found to possess a significant NIR absorbance at 1100 nm in which the metal moiety effectively functioned as an electron sink. Electrochemical analyses of the polymer thin films revealed that they exhibited highly reversible electrochromic phenomena.

  DOI：

  10.1021/ja104051x