2-(2-(2-(2-(4-bromophenoxy)ethoxy)ethoxy)ethoxy)-1,3-diisopropylbenzene | 1301817-69-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2-(2-(2-(4-bromophenoxy)ethoxy)ethoxy)ethoxy)-1,3-diisopropylbenzene
• CAS: 1301817-69-5
• 化学式: C₂₄H₃₃BrO₄
• 分子量: 465.428
• InChiKey: YEWDAEIMQLATQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.19
• 重原子数：
  29.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(2-(2-(2-(4-bromophenoxy)ethoxy)ethoxy)ethoxy)-1,3-diisopropylbenzene 、 3,3'-bis((2-(2-ethoxyethoxy)ethoxy)methyl)-2,2'-bithiophene 在 正丁基锂 、 三丁基氯化锡 、 四(三苯基膦)钯 作用下， 以 四氢呋喃 、 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以1.4 g的产率得到5-[4-[2-[2-[2-[2,6-Di(propan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-2-[3-[2-(2-ethoxyethoxy)ethoxymethyl]thiophen-2-yl]thiophene
  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
• 作为产物：
  描述：

  丙泊酚 在 4-二甲氨基吡啶 、 potassium carbonate 、 三乙胺 、 potassium iodide 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 2-(2-(2-(2-(4-bromophenoxy)ethoxy)ethoxy)ethoxy)-1,3-diisopropylbenzene
  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