methyl 3,4,5-tris(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)benzoate | 1096159-34-0

• 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: methyl 3,4,5-tris(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)benzoate
• 英文别名: Methyl 3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzoate；methyl 3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzoate
• CAS: 1096159-34-0
• 化学式: C₃₂H₅₆O₁₄
• 分子量: 664.788
• InChiKey: KUAKXHCCVGWHHP-UHFFFAOYSA-N

物化性质

• 沸点：
  654.9±55.0 °C(Predicted)
• 密度：
  1.102±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  46
• 可旋转键数：
  35
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  137
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  methyl 3,4,5-tris(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)benzoate 在 lithium aluminium tetrahydride 、 15-冠醚-5 、 sodium hydride 、 对甲苯磺酸 、 potassium iodide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 29.5h， 生成 2-(2-(2-(3,4,5-tris(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)benzyloxy)ethoxy)ethoxy)ethanol
  参考文献：
  名称：

  Thermoresponsive dendrimers based on oligoethylene glycols: Design, synthesis and cytotoxic activity against MCF-7 breast cancer cells

  摘要：

  Three interesting thermoresponsive branched oligoethylene glycol dendrimers based on tetrabromohydroquinone were efficiently synthesized from tetrabromohydroquinone and three different oligoethylene glycol derivatives. By visual inspection, all these dendrimers are water-soluble at room temperature. The thermoresponsive behaviors were investigated by using UV/vis turbidity measurement at different temperatures for 0.25 wt% of aqueous solutions from D1, D2 and D3. The cytotoxicity of the prepared dendrimers was tested against MCF-7 breast cancer cells. All tested dendrimers showed considerable results, where D2 dendrimer gave the best result; it showed cytotoxicity against MCF-7 cell line with IC50 of 1.07 mu g/mL and resistant fraction equals 1.97%, the other two dendrimers showed a modest cytotoxic profile. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.09.019
• 作为产物：
  描述：

  三乙二醇乙醚 在 potassium carbonate 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 、 丙酮 为溶剂， 反应 14.0h， 生成 methyl 3,4,5-tris(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)benzoate
  参考文献：
  名称：

  具有增强圆偏振发光和手性自排序的两亲双螺旋聚（苯乙炔）均聚物的二维六角组装

  摘要：

  已经开发出一种独特的组装策略来生成基于两亲性聚（苯乙炔）均聚物的独立二维手性纳米材料，该均聚物具有疏水性和亲水性树枝状侧链并采用类 DNA 双螺旋构象。聚集体直接在溶液中形成可调节的二维六角形纳米片，具有增强的 CPL 和手性自分类行为。

  DOI：

  10.1002/anie.202214293

文献信息

• Thermoresponsive dendronized polymers with tunable lower critical solution temperatures
  作者：Wen Li、Afang Zhang、A. Dieter Schlüter

  DOI：10.1039/b811464a

  日期：——

  A series of first (PG1) and second generation (PG2) dendronized polymers were synthesized which exhibit fast and sharp phase transitions with negligible hystereses in aqueous solutions and apparent lower critical solution temperatures (LCSTs) in the range of 33–49 °C.

  合成了一系列一代（PG1）和二代（PG2）树状聚合物，这些聚合物在水溶液中表现出快速且明确的相变，并且滞后现象微乎其微，明显的低临界溶解温度（LCST）在33-49°C范围内。
• Thermoresponsive Supramolecular Dendronized Polymers
  作者：Jiatao Yan、Wen Li、Kun Liu、Dalin Wu、Feng Chen、Peiyi Wu、Afang Zhang

  DOI：10.1002/asia.201100528

  日期：2011.12.2

  formation of the supramolecular polymers, which is supported with 1H NMR spectroscopy and dynamic light scattering measurements. The supramolecular formation was also examined at different host/guest ratios. The water solubility of hosts and guests increases upon supramolecular formation. The supramolecular polymers show good solubility in water at room temperature, but exhibit thermoresponsive behavior at

  将超分子聚合物和树枝状聚合物的概念相结合，提供了创建具有易于结构修饰和可调性能的大体积聚合物的机会。在目前的工作中，通过主客体相互作用制备了一类新型的侧链超分子树状聚甲基丙烯酸酯。宿主是线性重复的聚甲基丙烯酸酯（作为主链），每个重复单元带有一个β-环糊精（β-CD）部分，来宾是由三重支链低聚乙二醇（OEG）的第一（G1）构成以及具有金刚烷基基团核心的第二代（G2）树突。水溶液中的主体和客体相互作用导致超分子聚合物的形成，并由11 H NMR光谱和动态光散射测量。还以不同的宿主/客体比率检查了超分子形成。主体和客体的水溶性随着超分子形成而增加。超分子聚合物在室温下在水中具有良好的溶解性，但在高温下表现出热响应性能。因此，用UV / Vis和1研究了它们的热响应性。1 H NMR光谱，并与由单个β-CD和OEG树状客体形成的对应物进行比较。检查了聚合物浓度和主体/客体的摩尔比的影响。已经发现，
• Thermoresponsive dendrimers based on oligoethylene glycols: Design, synthesis and cytotoxic activity against MCF-7 breast cancer cells
  作者：Mona A. Abdel-Rahman、Ahmed M. Al-Abd

  DOI：10.1016/j.ejmech.2013.09.019

  日期：2013.11

  Three interesting thermoresponsive branched oligoethylene glycol dendrimers based on tetrabromohydroquinone were efficiently synthesized from tetrabromohydroquinone and three different oligoethylene glycol derivatives. By visual inspection, all these dendrimers are water-soluble at room temperature. The thermoresponsive behaviors were investigated by using UV/vis turbidity measurement at different temperatures for 0.25 wt% of aqueous solutions from D1, D2 and D3. The cytotoxicity of the prepared dendrimers was tested against MCF-7 breast cancer cells. All tested dendrimers showed considerable results, where D2 dendrimer gave the best result; it showed cytotoxicity against MCF-7 cell line with IC50 of 1.07 mu g/mL and resistant fraction equals 1.97%, the other two dendrimers showed a modest cytotoxic profile. (C) 2013 Elsevier Masson SAS. All rights reserved.
• 2D Hexagonal Assemblies of Amphiphilic Double‐Helical Poly(phenylacetylene) Homopolymers with Enhanced Circularly Polarized Luminescence and Chiral Self‐Sorting
  作者：Siliang Cai、Yihan Huang、Siyu Xie、Sheng Wang、Yan Guan、Xinhua Wan、Jie Zhang

  DOI：10.1002/anie.202214293

  日期：2022.12.23

  A unique assembly strategy has been developed to generate free-standing two-dimensional chiral nanomaterials based on amphiphilic poly(phenylacetylene) homopolymers, which bear hydrophobic and hydrophilic dendritic side chains and adopt a DNA-like double-helical conformation. The aggregates form modulable 2D hexagonal nanosheets directly in solution, with enhanced CPL and chiral self-sorting behavior

  已经开发出一种独特的组装策略来生成基于两亲性聚（苯乙炔）均聚物的独立二维手性纳米材料，该均聚物具有疏水性和亲水性树枝状侧链并采用类 DNA 双螺旋构象。聚集体直接在溶液中形成可调节的二维六角形纳米片，具有增强的 CPL 和手性自分类行为。