2-(2-(2-(2,6-diisopropylphenoxy)ethoxy)ethoxy)ethan-1-ol | 1301817-65-1

• 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-(2,6-diisopropylphenoxy)ethoxy)ethoxy)ethan-1-ol
• CAS: 1301817-65-1
• 化学式: C₁₈H₃₀O₄
• 分子量: 310.434
• InChiKey: IDBMAJZLSDSTQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.34
• 重原子数：
  22.0
• 可旋转键数：
  11.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  47.92
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(2-(2-(2,6-diisopropylphenoxy)ethoxy)ethoxy)ethan-1-ol 在 4-二甲氨基吡啶 、 正丁基锂 、 potassium carbonate 、 三乙胺 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
• 作为产物：
  描述：

  2-氯乙氧基-2-乙氧基二乙醇 、 丙泊酚 在 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以80%的产率得到2-(2-(2-(2,6-diisopropylphenoxy)ethoxy)ethoxy)ethan-1-ol
  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

• Evaluating the energy landscape of an out-of-equilibrium bistable [2]rotaxane containing monopyrrolotetrathiafulvalene
  作者：Mathias S. Neumann、Amanda F. Smith、Sofie K. Jensen、Rikke Frederiksen、Mathias L. Skavenborg、Jan O. Jeppesen

  DOI：10.1039/d3cc00360d

  日期：——

  directional movement in interlocked molecules. In this study, the kinetics for the directional movement of cyclobis(paraquat-p-phenylene) across the dioxidised monopyrrolotetrathiafulvalene in a [2]rotaxane is quantified by time-resolved 1H NMR spectroscopy.

  单吡咯四硫富瓦烯独特的氧化还原特性可用于诱导互锁分子的定向运动。在这项研究中，通过时间分辨1 H NMR 光谱量化环双（对草枯-对亚苯基）在 [2] 轮烷中穿过二氧化单吡咯并四硫富瓦烯的定向运动动力学。