2-Bromo-5-[3-(6-bromohexyl)thiophen-2-yl]-3-dodecylthiophene | 466652-35-7

• 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: 2-Bromo-5-[3-(6-bromohexyl)thiophen-2-yl]-3-dodecylthiophene
• 英文别名: 2-bromo-5-[3-(6-bromohexyl)thiophen-2-yl]-3-dodecylthiophene
• CAS: 466652-35-7
• 化学式: C₂₆H₄₀Br₂S₂
• 分子量: 576.544
• InChiKey: BBMOQAWKZJHNGZ-UHFFFAOYSA-N

物化性质

• 沸点：
  576.7±50.0 °C(Predicted)
• 密度：
  1.253±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  13
• 重原子数：
  30
• 可旋转键数：
  18
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  亚磷酸三乙酯 、 2-Bromo-5-[3-(6-bromohexyl)thiophen-2-yl]-3-dodecylthiophene 反应 18.0h， 以88%的产率得到2-Bromo-5-[3-[6-[diethoxy(oxido)phosphaniumyl]hexyl]thiophen-2-yl]-3-dodecylthiophene
  参考文献：
  名称：

  New Phosphonic Acid Functionalized, Regioregular Polythiophenes

  摘要：

  Here we present the synthesis of both regioregular amphiphilic polythiophenes carrying a phosphonic acid on alternating side chains (8) and a regioregular polythiophene polyelectrolyte carrying a phosphonic acid side chain (14). We present the cation self-assembly and colorimetric changes of these regioregular polythiophenes carrying phosphonic acids. We also have explored the ability of these polymers to attempt to form SAMs with zirconium.

  DOI：

  10.1021/ma034639+
• 作为产物：
  描述：

  3-(6-bromohexyl)thiophene 在 N-溴代丁二酰亚胺(NBS) 、 tris(dibenzylideneacetone)dipalladium (0) 、 溶剂黄146 、 三苯基膦 作用下， 以 四氢呋喃 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.66h， 生成 2-Bromo-5-[3-(6-bromohexyl)thiophen-2-yl]-3-dodecylthiophene
  参考文献：
  名称：

  New Phosphonic Acid Functionalized, Regioregular Polythiophenes

  摘要：

  Here we present the synthesis of both regioregular amphiphilic polythiophenes carrying a phosphonic acid on alternating side chains (8) and a regioregular polythiophene polyelectrolyte carrying a phosphonic acid side chain (14). We present the cation self-assembly and colorimetric changes of these regioregular polythiophenes carrying phosphonic acids. We also have explored the ability of these polymers to attempt to form SAMs with zirconium.

  DOI：

  10.1021/ma034639+

文献信息

• New Phosphonic Acid Functionalized, Regioregular Polythiophenes
  作者：Kristoffer K. Stokes、Karine Heuzé、Richard D. McCullough

  DOI：10.1021/ma034639+

  日期：2003.9.1

  Here we present the synthesis of both regioregular amphiphilic polythiophenes carrying a phosphonic acid on alternating side chains (8) and a regioregular polythiophene polyelectrolyte carrying a phosphonic acid side chain (14). We present the cation self-assembly and colorimetric changes of these regioregular polythiophenes carrying phosphonic acids. We also have explored the ability of these polymers to attempt to form SAMs with zirconium.