ethylene glycol (2-allyloxyethyl)phenyl ether | 920978-33-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: ethylene glycol (2-allyloxyethyl)phenyl ether
• 英文别名: 2-(2-{2-[(Prop-2-en-1-yl)oxy]ethoxy}phenoxy)ethan-1-ol；2-[2-(2-prop-2-enoxyethoxy)phenoxy]ethanol
• CAS: 920978-33-2
• 化学式: C₁₃H₁₈O₄
• 分子量: 238.284
• InChiKey: QMNWGPMTDIITPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethylene glycol (2-allyloxyethyl)phenyl ether 在 sodium hydroxide 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 生成 1,2-Bis-(3-{2-[2-(2-allyloxy-ethoxy)-phenoxy]-ethoxy}-phenyl)-1,1,2,2-tetramethyl-disilane
  参考文献：
  名称：

  Synthesis of macrocyclic polyethers via Ru complex-catalyzed metathesis cyclization and their use as the ring component of rotaxanes

  摘要：

  Ring closing metathesis of the vinyl group-terminated oligoethers catalyzed by RuCl2(=CHPh)(PCy3)(2) yielded macrocyclic polyethers containing vinylene group. The H-1 and C-13 NMR spectra indicated the presence of C=C double bond (trans/cis = ca. 80:20). The obtained 23-membered cyclic ether reacted with benzyi(anthrylmethl)ammonium hexafluorophosphate to produce the pseudo-rotaxane as colorless crystals. X-ray crystallography revealed N-(HO)-O-... hydrogen bonds and stacking of the aromatic planes between the host and guest molecules, which stabilized the rotaxane structure in the solid state. The H-1 NMR spectra of the solutions containing the macrocyclic polyether and several secondary ammonium salts indicated the formation of pseudo-[2]-rotaxanes. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.09.032