1,7-bis(trimethylsilyl)-4,4-bis(dodecyloxymethyl)-1,6-heptadiyne | 1350919-58-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,7-bis(trimethylsilyl)-4,4-bis(dodecyloxymethyl)-1,6-heptadiyne
• 英文别名: 4,4-bis(dodecyloxymethyl)-1,7-bis(trimethylsilyl)hepta-1,6-diyne
• CAS: 1350919-58-2
• 化学式: C₃₉H₇₆O₂Si₂
• 分子量: 633.202
• InChiKey: HTQWPYYURLIAPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.39
• 重原子数：
  43.0
• 可旋转键数：
  28.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1,7-bis(trimethylsilyl)-4,4-bis(dodecyloxymethyl)-1,6-heptadiyne 在 正丁基锂 、 二氯二茂锆 、 二氯化二硫 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以756 mg的产率得到2,5-bis-trimethylsilyl-didodecyloxymethyl-cyclopenta[c]thiophene
  参考文献：
  名称：

  Synthesis and charge carrier mobility of a solution-processable conjugated copolymer based on cyclopenta[c]thiophene

  摘要：

  DOI：

  10.1016/j.polymer.2011.10.014
• 作为产物：
  描述：

  溴代十二烷 在 正丁基锂 、 potassium hydroxide 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 26.5h， 生成 1,7-bis(trimethylsilyl)-4,4-bis(dodecyloxymethyl)-1,6-heptadiyne
  参考文献：
  名称：

  Synthesis and charge carrier mobility of a solution-processable conjugated copolymer based on cyclopenta[c]thiophene

  摘要：

  DOI：

  10.1016/j.polymer.2011.10.014

文献信息

• Synthesis of Solution-Processable Poly(cyclopenta[<i>c</i>]selenylvinylene) and Its Charge Transport Properties: Comparative Study with the Thiophene Analogue
  作者：Anjan Bedi、Satyaprasad P. Senanayak、K. S. Narayan、Sanjio S. Zade

  DOI：10.1021/ma4008219

  日期：2013.8.13

  We report here the synthesis and characterization of 5,5-bis(dodecyloxymethyl)-5,6-dihydro-4H-cyclopenta[c]selenophene (DCPS) and its characterization by single crystal X-ray diffraction technique. In continuation to this, two new solution-processable copolymers PDCPSV and PDCPTV, comprising of DCPS and 5,5-bis(dodecyloxymethyl)-5,6-dihydro-4H-cyclopenta[c]thiophene (DCPT), respectively, in combination with vinylene unit were synthesized, characterized and compared on the basis of their physical, optical and electronic properties. We have successfully introduced vinylene linkage between two consecutive DCPS or DCPT units in the polymer main chain that resulted in low band gap and oxidatively stable polymers. The 3,4-cyclopentane substitution on thiophene and selenophene affords the planarity to the resulting polymers and the question of regioregularity does not arise in the polymer chain in contrast to the 3-alkyl substitution. PDCPSV showed a p-type mobility of 5.6 x 10(-3) cm(2) V-1 s(-1), whereas PDCPTV showed 3.8 x 10(-3) cm(2) V-1 s(-1). The polymers were further characterized by GPC, TGA, DSC, thin-film XRD, and cyclic voltammetry (CV).