6,8-dibromo-3,3-dihexyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine | 700817-04-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6,8-dibromo-3,3-dihexyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine
• 英文别名: 6,8-dibromo-3,3-dihexyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
• CAS: 700817-04-5
• 化学式: C₁₉H₃₀Br₂O₂S
• 分子量: 482.32
• InChiKey: AMNZFBPWLPNQQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  46.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6,8-dibromo-3,3-dihexyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine 、 三甲基乙炔基硅 、 chloroform hydrate 、 二异丙胺 在 碘化亚铜 、 四(三苯基膦)钯 water, ammonium chloride 、 Sodium sulfate-III 作用下， 反应 16.0h， 生成 3,3-Dihexyl-6,8-bis-trimethylsilanylethynyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine
  参考文献：
  名称：

  Amplified Fluorescence Polymers and Sensor Thereof

  摘要：

  本公开涉及带有侧链官能团的增强荧光聚合物（AFPs），它们的衍生物以及它们的合成。这些增强荧光聚合物可以用于各种生物和化学传感器中。

  公开号：

  US20110207114A1
• 作为产物：
  描述：

  2,2-dihexylpropane-1,3-diol 在 N-溴代丁二酰亚胺(NBS) 、 对甲苯磺酸 作用下， 以 氯仿 、 甲苯 为溶剂， 反应 24.0h， 生成 6,8-dibromo-3,3-dihexyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine
  参考文献：
  名称：

  区域对称的3,4-二氧基官能化聚噻吩的结构-性质关系

  摘要：

  我们提出了合成和表征含有单和二烷基化的3,4-亚丙基二氧噻吩的新型均聚物和共聚物，目的是创建在聚合物电子学和光子学领域中要开发的新型π-共轭聚合物。我们表明，大的七元二氧杂环丁烷环连接到噻吩部分会导致不利的空间相互作用，尤其是在均聚物中；因此，它防止了聚合物在固态下以短的π堆积距离适应共面结构。我们进一步表明，将较少量的未取代噻吩单元形式的空间填充单元掺入到聚合物链中减少了这些不利的相互作用，因此允许在固态下更共面的聚合物主链取向和更短的π堆积距离。

  DOI：

  10.1021/ma051609t

文献信息

• Amplified Fluorescence Polymers and Sensor Thereof
  申请人：Kumar Anil

  公开号：US20110207114A1

  公开（公告）日：2011-08-25

  The present disclosure is related to amplified fluorescence polymers (AFPs) with pendant functional groups, their derivatives and their synthesis. The amplified fluorescence polymers can be used in various biological and chemical sensors.

  本公开涉及带有侧链官能团的增强荧光聚合物（AFPs），它们的衍生物以及它们的合成。这些增强荧光聚合物可以用于各种生物和化学传感器中。
• Spray Coatable Electrochromic Dioxythiophene Polymers with High Coloration Efficiencies
  作者：Benjamin D. Reeves、Christophe R. G. Grenier、Avni A. Argun、Ali Cirpan、Tracy D. McCarley、John R. Reynolds

  DOI：10.1021/ma049222y

  日期：2004.10.1

  Four new disubstituted propylenedioxythiophene polymers have been synthesized by Grignard metathesis on the 1-5 g scale. All polymers were found to be soluble in chloroform, methylene chloride, toluene, and tetrahydrofuran and were fully structurally characterized having GPC determined number-average molecular weights ranging from 33000 to 47000 g mol(-1). Dilute polymer solutions in toluene exhibited strong red fluorescence with moderate quantum efficiencies from 0.38 to 0.50. Homogeneous thin films were formed by electropolymerization and spray casting polymer solutions onto ITO coated glass slides at thicknesses of ca. 150 nm. The films were electroactive, switching from a dark blue-purple to a transmissive sky blue upon p-doping, often with subsecond switching times, and high electrochromic contrast luminance changes (% DeltaY) of 40-70%. These studies revealed that the branched derivatives, [poly(3,3-bis(2-ethylhexyl)-3,4-dihydro-2H-thieno[3,4-b] [1,4] dioxepine)] and [poly(6,8-dibromo-3,3-bis(2-ethylhexyloxymethyl)-3,4-dihydro-2H-thieno[3,4-b] [1,4]dioxepine)], gave an electrochemical response and associated color change over a much smaller voltage range in comparison to the linear chain substituted derivatives, [poly(3,3-dihexyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine)] and [poly(3,3-bis(octadecyloxymethyl)-3,4-dihydro-2H-thieno[3,4-b] [1,4]dioxepine)]. Composite coloration efficiency values were found up to 1365 cm(2)/C; this was considerably larger than values obtained from previously studied alkylenedioxythiophene based polymers (similar to375 cm(2)/C).
• [EN] AMPLIFIED FLUORESCENCE POLYMERS AND SENSOR THEREOF<br/>[FR] POLYMÈRES À FLUORESCENCE AMPLIFIÉE ET CAPTEUR DE CES POLYMÈRES
  申请人：INDIAN INST OF TECHNOLOGY MUMB

  公开号：WO2010049797A1

  公开（公告）日：2010-05-06

  The present disclosure is related to amplified fluorescence polymers (AFPs) with pendant functional groups, their derivatives and their synthesis. The amplified fluorescence polymers can be used in various biological and chemical sensors.
• Structure−Property Relations of Regiosymmetrical 3,4-Dioxy-Functionalized Polythiophenes
  作者：Christian B. Nielsen、Thomas Bjørnholm

  DOI：10.1021/ma051609t

  日期：2005.12.1

  from adapting a coplanar structure with a short π-stacking distance in the solid state. We furthermore show that incorporation of less space filling units in the form of unsubstituted thiophene units into the polymer chain reduces these unfavorable interactions and therefore allows for a more coplanar polymer backbone orientation and a shorter π-stacking distance in the solid state. These findings are

  我们提出了合成和表征含有单和二烷基化的3,4-亚丙基二氧噻吩的新型均聚物和共聚物，目的是创建在聚合物电子学和光子学领域中要开发的新型π-共轭聚合物。我们表明，大的七元二氧杂环丁烷环连接到噻吩部分会导致不利的空间相互作用，尤其是在均聚物中；因此，它防止了聚合物在固态下以短的π堆积距离适应共面结构。我们进一步表明，将较少量的未取代噻吩单元形式的空间填充单元掺入到聚合物链中减少了这些不利的相互作用，因此允许在固态下更共面的聚合物主链取向和更短的π堆积距离。