4,8-双(2-丁基正辛基氧代)-2,6-双(三甲锡基)苯并[1,2-b:4,5-b']二噻吩 | 1271439-08-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 中文名称: 4,8-双(2-丁基正辛基氧代)-2,6-双(三甲锡基)苯并[1,2-b:4,5-b']二噻吩
• 中文别名: 4,8-双(2-丁基正辛基氧代)-2,6-双(三甲锡基)苯并[1,2-B:4,5-B']二噻吩
• 英文名称: 2,6-bis(trimethyltin)-4,8-di(2-butyl)octyloxybenzo[1,2-b;3,4-b′]-dithiophene
• 英文别名: 4,8-Bis(2-butyl-n-octyloxy)-2,6-bis(trimethylstannyl)benzo[1,2-b:4,5-b']dithiophene；[4,8-bis(2-butyloctoxy)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
• CAS: 1271439-08-7
• 化学式: C₄₀H₇₀O₂S₂Sn₂
• 分子量: 884.547
• InChiKey: SWDLPBRTONKXQI-UHFFFAOYSA-N

物化性质

• 沸点：
  741.4±70.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  13.52
• 重原子数：
  46
• 可旋转键数：
  24
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  74.9
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  6.1

反应信息

• 作为产物：
  描述：

  4,8-di(2-butyl)octyloxybenzo[1,2-b;3,4-b′]dithiophene 、 三甲基氯化锡 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.0h， 以73.8%的产率得到4,8-双(2-丁基正辛基氧代)-2,6-双(三甲锡基)苯并[1,2-b:4,5-b']二噻吩
  参考文献：
  名称：

  A Family of Donor–Acceptor Photovoltaic Polymers with Fused 4,7-Dithienyl-2,1,3-benzothiadiazole Units: Effect of Structural Fusion and Side Chains

  摘要：

  A new optoelectronic building block, dithieno[3',2':3,4;2 '',3 '':5,6]benzo[1,2-c][1,2,5]thiadiazole, was designed by applying a fusion strategy on 4,7-dithienyl-2,1,3-benzothiadazole (DTBT) and named as fDTBT. In combination with benzo[1,2-b:4,5-b']dithiophene (BDT), fDTBT was used for the construction of a family of donor-acceptor copolymers, P(BDTn-fDTBT), with different side chains (n is carbon number of the side chain and varies from 8, 10, 12, 16, 20, to 24). It was found that the side chains have great impact on processing and photovoltaic properties of the polymers. P(BDTn-fDTBT) (n = 8, 10, and 12) bearing small alkyl side chains show poor solubility even in hot solvents. P(BDTn-fDTBT) (n = 20 and 24) have good solubility but inferior photovoltaic performance with an efficiency of 1.04% and 0.49%, respectively. Only P(BDT16-fDTBT) having 2-hexyldecyl side chain possesses both suitable solution processability and good photovoltaic properties with an efficiency around 4.36%. The comparison between P(BDT16-fDTBT) with the nonfused reference polymer P(BDT20-DTBT) reveals that the structural fusion on DTBT endows the polymer a deeper HOMO energy level and a better film morphology when blending with [6,6]-phenyl-C-61-butyric acid methyl ester (PC61BM), finally resulting in improved photovoltaic performance.

  DOI：

  10.1021/ma401298g