| 1402908-37-5

• 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
• CAS: 1402908-37-5
• 化学式: C₈₀H₁₁₃BrS₁₆
• 分子量: 1667.74
• InChiKey: CPJYFZSQMOGVCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  35.99
• 重原子数：
  97.0
• 可旋转键数：
  55.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  在 bis[1,2-bis(diphenylphosphino)ferrocene]-palladium(0) 、 联硼酸频那醇酯 作用下， 反应 0.25h， 以85%的产率得到
  参考文献：
  名称：

  Facilitated synthesis of functional oligothiophenes for application in thin film devices and live cell imaging

  摘要：

  This paper describes recent developments in the synthesis of ultrapure functional oligothiophene-based materials taking advantage of enabling techniques such as microwave/ultrasound irradiation and chitosan-supported palladium catalysts. Examples showing how ultrapure oligothiophenes self-organize in order to optimize charge transport in thin film devices and fluorescence emission inside living cells are reported.[GRAPHICS].

  DOI：

  10.1080/17415993.2013.807810
• 作为产物：
  描述：

  3,3',3''',3''''',3''''''',4'',4'''',4''''''-octakis(hexylsulphanyl)octithiophene 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 二氯甲烷 为溶剂， 反应 0.25h， 以35%的产率得到
  参考文献：
  名称：

  Synthesis and Photovoltaic Properties of Regioregular Head-to-Head Substituted Thiophene Hexadecamers

  摘要：

  We describe the expedient synthesis of regioregular thiophene hexadecamers head-to-head (hh) substituted with hexyl and hexylthio grous. The synthesis was carried out by means of a sequence of ultrasound-assisted selective monobrominations and microwave-assisted Suzuki reactions using 4,4,5,5-tetramethyl-1,3,2-dioxaborolane in THF:water. The hexadecamers, which are very soluble in organic solvents, were investigated in solution and thin film by a variety of techniques (UV, PL, CV, X-ray diffraction, FET charge mobility, SKFM) with the aim of elucidating the effect of the sulfur spacer on morphology and functional properties. We show that the sulfur spacer compensates for the decrease in pi-pi conjugation caused by the hh regiochemistry and that the lambda(max) value and redox potentials of the S-alkyl-substituted hexadecamer are similar to those of head-to-tail substituted poly(3-hexylthiophene). Measurements in field effect transistor devices showed that the alkylthio-substituted hexadecamer is a p-type semiconductor while the alkyl-substituted counterpart in the same conditions is not electroactive. Scanning Kelvin force microscopy measurements showed that a blend of the alkylthio-substituted hexadecamer with PCBM displays photovoltaic behavior under illumination. In agreement with this, a bulk heterojunction cell fabricated employing the same blend displayed near 1.5% conversion efficiency without addition of additives or device optimization.

  DOI：

  10.1021/ma301678g