5-Bromo-2-(5-bromo-3-hexylthiophen-2-yl)-4-hexyl-1,3-thiazole | 1353718-25-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-Bromo-2-(5-bromo-3-hexylthiophen-2-yl)-4-hexyl-1,3-thiazole
• 英文别名: 5-bromo-2-(5-bromo-3-hexylthiophen-2-yl)-4-hexyl-1,3-thiazole
• CAS: 1353718-25-8
• 化学式: C₁₉H₂₇Br₂NS₂
• 分子量: 493.37
• InChiKey: BNOKVDIOWSXXSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  24
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  69.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-溴-3-己基噻吩 在 N-溴代丁二酰亚胺(NBS) 、 二硫代磷酸二乙酯 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 45.5h， 生成 5-Bromo-2-(5-bromo-3-hexylthiophen-2-yl)-4-hexyl-1,3-thiazole
  参考文献：
  名称：

  Synthesis and Electro-Optical Properties of Fluorene-Based Copolymer for Organic Photovoltaic Device Application

  摘要：

  The following soluble pi-conjugated polymer was synthesized by palladium-catalyzed Suzuki polymerization: poly[(9,9-dioctylfluorene)-alt-(3-hexylthiophen-5-yl)(4'-hexylthiazol-5'-yl)] poly(FO-HThHTha) derived from poly(9,9-dioctylfluorene) (PFO) and poly[(3-hexylthiophen-5-yl)-2,2'-(4'-hexylthiazol-5'-yl)] poly (HThHTa). The polymer, poly(FO-HThHTa) was soluble in common organic solvents and easily spin coated onto indium-tin oxide (ITO) coated glass substrates. Bulk heterojunction photovoltaic cells with an ITO/PEDOT/poly(FO-HThHTa): PC70BM/TiOx/Al configuration were fabricated and the photovoltaic cell using poly(FO-HThHTa): PC70BM (1: 4) showed the best photovoltaic performance compared with those using poly(FO-HThHTa): PC70BM (1: 2 and 1: 6). The optimal bulk heterojunction photovoltaic cell exhibits a power conversion efficiency (PCE) of 0.39% (V-oc = 0.44 V, J(sc) = 2.57, FF = 0.34) with poly(FO-HThHTa): PC70BM (1: 4) measured by using an AM 1.5G irradiation (100mW/cm(2)) on an Oriel Xenon solar simulator (Oriel 300 W).

  DOI：

  10.1080/15421406.2011.564076