5-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[4-[2-[2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine | 1301817-70-8

• 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-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[4-[2-[2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
• 英文别名: 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[4-[2-[2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
• CAS: 1301817-70-8
• 化学式: C₃₆H₄₂O₈S₂
• 分子量: 666.857
• InChiKey: ZALBJFOUNNFDEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  46
• 可旋转键数：
  15
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  130
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  丙泊酚 在 4-二甲氨基吡啶 、 正丁基锂 、 potassium carbonate 、 三乙胺 、 potassium iodide 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 34.0h， 生成 5-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[4-[2-[2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
  参考文献：
  名称：

  Synthesis of thiophene-capped [2]rotaxanes

  摘要：

  Two types of thiophene-capped [2]rotaxanes, i.e., bithienyl (2T)- and bis(3,4-ethylenedioxythiophene)-yl (BEDOT)-capped [2]rotaxanes, were synthesized. The electron-deficient cyclophane of cyclobis(paraquat-p-phenylene) (CBPQT(4+)) was used as a macrocycle. Association constants for inclusion complexation of 2T- and BEDOT-derivatives with CBPQT(4+) were obtained by H-1 NMR titration. Due to the donor acceptor charge transfer absorption band, 2T- and BEDOT-capped [2]rotaxanes have red and green colors, respectively. On the basis of electrochemical analysis, we confirmed that only BEDOT-capped [2]rotaxane is a promising candidate for [3]rotaxane synthesis through oxidation coupling of the thiophene unit. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.03.009

文献信息

• Synthesis of thiophene-capped [2]rotaxanes
  作者：Taichi Ikeda、Masayoshi Higuchi

  DOI：10.1016/j.tet.2011.03.009

  日期：2011.4

  Two types of thiophene-capped [2]rotaxanes, i.e., bithienyl (2T)- and bis(3,4-ethylenedioxythiophene)-yl (BEDOT)-capped [2]rotaxanes, were synthesized. The electron-deficient cyclophane of cyclobis(paraquat-p-phenylene) (CBPQT(4+)) was used as a macrocycle. Association constants for inclusion complexation of 2T- and BEDOT-derivatives with CBPQT(4+) were obtained by H-1 NMR titration. Due to the donor acceptor charge transfer absorption band, 2T- and BEDOT-capped [2]rotaxanes have red and green colors, respectively. On the basis of electrochemical analysis, we confirmed that only BEDOT-capped [2]rotaxane is a promising candidate for [3]rotaxane synthesis through oxidation coupling of the thiophene unit. (C) 2011 Elsevier Ltd. All rights reserved.