7-[3-[[5,11,17,23-Tetratert-butyl-27-[3-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-yl)propoxy]-26,28-dimethoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]propyl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene | 737792-45-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 7-[3-[[5,11,17,23-Tetratert-butyl-27-[3-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-yl)propoxy]-26,28-dimethoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]propyl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
• 英文别名: 7-[3-[[5,11,17,23-tetratert-butyl-27-[3-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-yl)propoxy]-26,28-dimethoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]propyl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
• CAS: 737792-45-9
• 化学式: C₇₀H₈₀O₄S₄
• 分子量: 1113.67
• InChiKey: MAIJIKRHRJDWCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.8
• 重原子数：
  78
• 可旋转键数：
  16
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  150
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  环戊联噻吩 在 正丁基锂 、 sodium hydride 作用下， 以 四氢呋喃 、 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.33h， 生成 7-[3-[[5,11,17,23-Tetratert-butyl-27-[3-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-yl)propoxy]-26,28-dimethoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]propyl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
  参考文献：
  名称：

  Calix[4]arene-functionalized poly-cyclopenta[2,1-b;3,4-b′]bithiophenes with good recognition ability and selectivity for small organic molecules for application in QCM-based sensors

  摘要：

  合成了一些C2v对称的环戊烯[2,1-b;3,4-b′]双噻吩，这些化合物在4位上不同取代，连接了一个卡来克斯[4]芳烃，并通过阳极耦合进行了电化学聚合。通过循环伏安法、紫外-可见光谱和傅里叶变换红外光谱对聚合物进行了表征。石英晶体微天平分析显示，这些聚合物对气相中的甲苯和丙酮表现出强亲和力和选择性。与卡来克斯单元相关的吸附过程通过朗缪尔等温线得到了令人满意的描述，而聚噻吩主链提供了非常小的线性贡献。发现这些材料的吸附容量比缺乏卡来克斯单元的基于环戊双噻吩的聚合物高出三个数量级，从而提供了强有力的间接证据，证明了卡来克斯单元在吸附过程中的作用。

  DOI：

  10.1039/b314345g

文献信息

• Calix[4]arene-functionalized poly-cyclopenta[2,1-b;3,4-b′]bithiophenes with good recognition ability and selectivity for small organic molecules for application in QCM-based sensors
  作者：Simona Rizzo、Franco Sannicolò、Tiziana Benincori、Gilberto Schiavon、Sandro Zecchin、Gianni Zotti

  DOI：10.1039/b314345g

  日期：——

  Some C2v symmetric cyclopenta[2,1-b;3,4-b′]bithiophenes differently substituted at the 4 position with a calix[4]arene group were synthesized and electrochemically polymerized by anodic coupling. The polymers were characterized by cyclic voltammetry, UV-vis and FTIR spectroscopy. Quartz crystal microbalance analysis showed strong affinity and selectivity of the polymers for toluene and acetone from the gas phase. The absorption process associated with the calix unit was satisfactorily described through a Langmuir isotherm, while a very small linear contribution was given by the polythiophene backbone. The absorption capacity of these materials was found to be higher by a magnitude of three orders than those displayed by cyclopentabithiophene-based polymers devoid of the calix unit, thus supplying strong, though indirect, proof of the role played by the calix units in the absorption process.

  合成了一些C2v对称的环戊烯[2,1-b;3,4-b′]双噻吩，这些化合物在4位上不同取代，连接了一个卡来克斯[4]芳烃，并通过阳极耦合进行了电化学聚合。通过循环伏安法、紫外-可见光谱和傅里叶变换红外光谱对聚合物进行了表征。石英晶体微天平分析显示，这些聚合物对气相中的甲苯和丙酮表现出强亲和力和选择性。与卡来克斯单元相关的吸附过程通过朗缪尔等温线得到了令人满意的描述，而聚噻吩主链提供了非常小的线性贡献。发现这些材料的吸附容量比缺乏卡来克斯单元的基于环戊双噻吩的聚合物高出三个数量级，从而提供了强有力的间接证据，证明了卡来克斯单元在吸附过程中的作用。