5-Hexyl-5''-iodo-[2,2';5',2'']terthiophene | 851934-57-1

• 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: 5-Hexyl-5''-iodo-[2,2';5',2'']terthiophene
• 英文别名: 2-Hexyl-5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophene；2-hexyl-5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophene
• CAS: 851934-57-1
• 化学式: C₁₈H₁₉IS₃
• 分子量: 458.451
• InChiKey: MBWNTGBPDMSGJC-UHFFFAOYSA-N

物化性质

• 沸点：
  482.1±45.0 °C(Predicted)
• 密度：
  1.481±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-Hexyl-5''-iodo-[2,2';5',2'']terthiophene 、 Bis(tetraethylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)zincate 在 copper(I) oxide 、 乙酰乙酸乙酯 、 N,N-二甲基甲酰胺 作用下， 生成
  参考文献：
  名称：

  四硫富瓦烯与多个噻吩或低聚噻吩取代基结合的供体聚碘自由基阳离子盐的合成和结构

  摘要：

  描述了一系列带有噻吩，联噻吩和叔噻吩侧链的TTF和EDT-TTF衍生的供体，从中形成了六种带有聚碘离子的自由基阳离子盐，并进行了结构表征。通常，它们包含五碘化物或三碘化物阴离子或两者的复杂网络，在某些情况下还包括其他碘，具有八，十，十二或十六个碘原子的网络。供体单阳离子形成面对面的对，但是四取代的供体沿其主轴滑动，因此供体侧链可以彼此缠绕。

  DOI：

  10.1039/d0ce00954g
• 作为产物：
  描述：

  5-hexyl-2,2':5',2''-terthiophene 在 正丁基锂 、 碘 作用下， 以 四氢呋喃 为溶剂， 生成 5-Hexyl-5''-iodo-[2,2';5',2'']terthiophene
  参考文献：
  名称：

  High Carrier Mobility up to 0.1 cm²/Vs and a Wide Mesomorphic Temperature Range of Alkynyl-Substituted Terthiophene and Quaterthiophene Derivatives

  摘要：

  Smectic semiconductors with high carrier mobility were designed and synthesized. The hole mobility of 3-TTP-yne-4 and 3-QTP-yne-3 at room temperature was 0.06 cm(2)/Vs and 0.1 cm(2)/Vs, respectively. They exhibit highly ordered smectic phases around room temperature, with softness to some extent, which make it possible homogeneous film with low defect density. Intermolecular distance in the smectic phase of 3-QTP-yne-4 is almost same as that of 3-TTP-yne-4. In this material, larger pi-conjugate system results in higher carrier mobility.

  DOI：

  10.1080/15421400590954722

文献信息

• Synthesis and structures of polyiodide radical cation salts of donors combining tetrathiafulvalene with multiple thiophene or oligo-thiophene substituents
  作者：Jonathan Short、Toby J. Blundell、Songjie Yang、Onur Sahin、Yiana Shakespeare、Emma L. Smith、John D. Wallis、Lee Martin

  DOI：10.1039/d0ce00954g

  日期：——

  derived donors bearing thiophene, bithiophene and terthiophene side chains is described, from which a group of six radical cation salts with polyiodide ions were formed and structurally characterised. Typically, they contain complex networks of pentaiodide or triiodide anions or both, in some cases including further iodine, with networks of eight, ten, twelve or sixteen iodine atoms. Donor monocations

  描述了一系列带有噻吩，联噻吩和叔噻吩侧链的TTF和EDT-TTF衍生的供体，从中形成了六种带有聚碘离子的自由基阳离子盐，并进行了结构表征。通常，它们包含五碘化物或三碘化物阴离子或两者的复杂网络，在某些情况下还包括其他碘，具有八，十，十二或十六个碘原子的网络。供体单阳离子形成面对面的对，但是四取代的供体沿其主轴滑动，因此供体侧链可以彼此缠绕。
• High Carrier Mobility up to 0.1 cm²/Vs and a Wide Mesomorphic Temperature Range of Alkynyl-Substituted Terthiophene and Quaterthiophene Derivatives
  作者：Masahiro Funahashi、Jun-ichi Hanna

  DOI：10.1080/15421400590954722

  日期：2005.6

  Smectic semiconductors with high carrier mobility were designed and synthesized. The hole mobility of 3-TTP-yne-4 and 3-QTP-yne-3 at room temperature was 0.06 cm(2)/Vs and 0.1 cm(2)/Vs, respectively. They exhibit highly ordered smectic phases around room temperature, with softness to some extent, which make it possible homogeneous film with low defect density. Intermolecular distance in the smectic phase of 3-QTP-yne-4 is almost same as that of 3-TTP-yne-4. In this material, larger pi-conjugate system results in higher carrier mobility.