2-octyl-3,4-dibromothiophene | 1260428-62-3

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 2-octyl-3,4-dibromothiophene
• 英文别名: 3,4-Dibromo-2-octylthiophene
• CAS: 1260428-62-3
• 化学式: C₁₂H₁₈Br₂S
• 分子量: 354.149
• InChiKey: BQINJQFXJKXSDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-octyl-3,4-dibromothiophene 在 四(三苯基膦)钯 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正庚烷 、 乙基苯 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.34h， 生成 5'-iodo-5-octyl-3,4-dicyano-2,2'-bithiophene
  参考文献：
  名称：

  [EN] OLIGOTHIOPHENES DERIVATIVES
  [FR] DÉRIVÉS OLIGOTHIOPHÈNES

  摘要：

  公开号：

  WO2011020712A3
• 作为产物：
  描述：

  3,4-二溴噻吩 、 1-碘辛烷 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 以62%的产率得到2-octyl-3,4-dibromothiophene
  参考文献：
  名称：

  Synthesis of soluble oligothiophenes bearing cyano groups, their optical and electrochemical properties

  摘要：

  The synthesis and the characterization of twelve new soluble oligothiophenes possessing two to four 3 4-dicyanothiophene units in their backbone are described These semiconductors are prepared through stifle coupling and/or homo-coupling reactions Cyclic voltammetry studies have been performed to evaluate their stability as n-type semiconducting materials under ambient conditions The measured electrochemical and optical properties are fully supported by quantum-chemical calculations (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2010.09.086

文献信息

• Synthesis of soluble oligothiophenes bearing cyano groups, their optical and electrochemical properties
  作者：Jean-Yves Balandier、Florence Quist、Claire Amato、Saïd Bouzakraoui、Jérôme Cornil、Sergey Sergeyev、Yves Geerts

  DOI：10.1016/j.tet.2010.09.086

  日期：2010.12

  The synthesis and the characterization of twelve new soluble oligothiophenes possessing two to four 3 4-dicyanothiophene units in their backbone are described These semiconductors are prepared through stifle coupling and/or homo-coupling reactions Cyclic voltammetry studies have been performed to evaluate their stability as n-type semiconducting materials under ambient conditions The measured electrochemical and optical properties are fully supported by quantum-chemical calculations (C) 2010 Elsevier Ltd All rights reserved
• [EN] OLIGOTHIOPHENES DERIVATIVES<br/>[FR] DÉRIVÉS OLIGOTHIOPHÈNES
  申请人：UNIV BRUXELLES

  公开号：WO2011020712A3

  公开（公告）日：2011-05-12