4,7-bis(3,4-diethyl-2,2'-bithien-5-yl)benzo[c][1,2,5]thiadiazole | 1260153-47-6

• 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: 4,7-bis(3,4-diethyl-2,2'-bithien-5-yl)benzo[c][1,2,5]thiadiazole
• CAS: 1260153-47-6
• 化学式: C₃₀H₂₈N₂S₅
• 分子量: 576.896
• InChiKey: AWKFXYAMCFXEBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.85
• 重原子数：
  37.0
• 可旋转键数：
  8.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  25.78
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  4,7-bis(3,4-diethyl-2,2'-bithien-5-yl)benzo[c][1,2,5]thiadiazole 、 三氟乙酸酐 以 1,2-二氯乙烷 为溶剂， 反应 8.0h， 以60%的产率得到1,1'-(5',5''-(benzo[c][1,2,5]thiadiazole-4,7-diyl)bis(3',4'-diethyl-2,2'-bithien-5',5-diyl))bis(2,2,2-trifluoroethan-1-one)
  参考文献：
  名称：

  A-D-A-D-A-Type Oligothiophenes for Vacuum-Deposited Organic Solar Cells

  摘要：

  Novel A-D-A-D-A-type oligothiophenes incorporating electron-withdrawing benzo[c][1,2,5]thiadiazole (BTDA) as core and trifluoroacetyl (TFA) as terminal acceptor groups have been developed. Vacuum-processed planar heterojunction organic solar cells incorporating these new oligomers as donor and C-60 as acceptor showed very high open circuit voltages up to 1.17 V, resulting in power conversion efficiencies of 1.56% under AM1.5G conditions.

  DOI：

  10.1021/ol102603n
• 作为产物：
  描述：

  4,7-二溴-2,1,3-苯并噻二唑 在 bis-triphenylphosphine-palladium(II) chloride 、 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 氯仿 、 1,2-二氯乙烷 为溶剂， 反应 114.0h， 生成 4,7-bis(3,4-diethyl-2,2'-bithien-5-yl)benzo[c][1,2,5]thiadiazole
  参考文献：
  名称：

  A-D-A-D-A-Type Oligothiophenes for Vacuum-Deposited Organic Solar Cells

  摘要：

  Novel A-D-A-D-A-type oligothiophenes incorporating electron-withdrawing benzo[c][1,2,5]thiadiazole (BTDA) as core and trifluoroacetyl (TFA) as terminal acceptor groups have been developed. Vacuum-processed planar heterojunction organic solar cells incorporating these new oligomers as donor and C-60 as acceptor showed very high open circuit voltages up to 1.17 V, resulting in power conversion efficiencies of 1.56% under AM1.5G conditions.

  DOI：

  10.1021/ol102603n