2-[2-(2-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}ethoxy)ethoxy]tetrahydropyran | 146395-16-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 2-[2-(2-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}ethoxy)ethoxy]tetrahydropyran
• 英文别名: 2H-Pyran, tetrahydro-2-(3,6,9,12,15-pentaoxahexadec-1-yloxy)-；2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]oxane
• CAS: 146395-16-6
• 化学式: C₁₆H₃₂O₇
• 分子量: 336.426
• InChiKey: RWTCMFFFGIHNOB-UHFFFAOYSA-N

物化性质

• 沸点：
  413.3±45.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  23
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-[2-(2-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}ethoxy)ethoxy]tetrahydropyran 在 盐酸 、 甲醇 、 sodium hydroxide 、 苄基三乙基氯化铵 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 2-[2-[2-[2-(2-甲氧基乙氧基)乙氧基]乙氧基]乙氧基]乙醇,4-甲基苯磺酸
  参考文献：
  名称：

  Kocian, Oldrich; Chiu, Kwok W.; Demeure, Roger, Journal of the Chemical Society. Perkin transactions I, 1994, # 5, p. 527 - 536

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4-二氢-2H-吡喃 在 盐酸 、 sodium hydroxide 、 四丁基硫酸氢铵 作用下， 以 水 、 甲苯 为溶剂， 反应 16.0h， 生成 2-[2-(2-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}ethoxy)ethoxy]tetrahydropyran
  参考文献：
  名称：

  Synthesis and Characterization of Network Type Single Ion Conductors

  摘要：

  New single ion conductors were synthesized by grafting the allyl group-containing lithium salt, lithium bis(allylmalonato)borate (LiBAMB), onto allyl group-containing comb-branch polyacrylate or polymethacrylate ethers by means of hydrosilylation. The highest ambient temperature conductivity of 3.5 x 10(-7) S cm(-1) was obtained for a polyacrylate ether-based single ion conductor containing eight EO units in the side chain and five EO units in the cross-linking side chain, to which the anion was fixed with a salt concentration of EO/Li = 20. For polyacrylate ether-based single ion conductors, an increase of chain length in both side chains and cross-linking anion chains favors an increase of ionic conductivity. The addition of 50 wt % EC/DMC (1/1, wt/wt) increased the ionic conductivity by more than 2 orders of magnitude due to both the increase in ionic mobility from the liquid phase and the increase in the concentration of free ions from the high dielectric constant of the solvent. The preliminary Li/Li cycling profiles of dry polyacrylate- and polymethacrylate ether-based single ion conductors are encouraging as almost no concentration polarization or relaxation was observed. The observed increase in cell potential with cycling is apparently due to an increase in the interfacial impedance associated with the SEI layer, and the cell failure is accompanied by the decomposition of the ester bond of the polyacrylate backbone.

  DOI：

  10.1021/ma035690g

文献信息

• Synthesis and Characterization of Network Type Single Ion Conductors
  作者：Xiao-Guang Sun、Craig L. Reeder、John B. Kerr

  DOI：10.1021/ma035690g

  日期：2004.3.1

  New single ion conductors were synthesized by grafting the allyl group-containing lithium salt, lithium bis(allylmalonato)borate (LiBAMB), onto allyl group-containing comb-branch polyacrylate or polymethacrylate ethers by means of hydrosilylation. The highest ambient temperature conductivity of 3.5 x 10(-7) S cm(-1) was obtained for a polyacrylate ether-based single ion conductor containing eight EO units in the side chain and five EO units in the cross-linking side chain, to which the anion was fixed with a salt concentration of EO/Li = 20. For polyacrylate ether-based single ion conductors, an increase of chain length in both side chains and cross-linking anion chains favors an increase of ionic conductivity. The addition of 50 wt % EC/DMC (1/1, wt/wt) increased the ionic conductivity by more than 2 orders of magnitude due to both the increase in ionic mobility from the liquid phase and the increase in the concentration of free ions from the high dielectric constant of the solvent. The preliminary Li/Li cycling profiles of dry polyacrylate- and polymethacrylate ether-based single ion conductors are encouraging as almost no concentration polarization or relaxation was observed. The observed increase in cell potential with cycling is apparently due to an increase in the interfacial impedance associated with the SEI layer, and the cell failure is accompanied by the decomposition of the ester bond of the polyacrylate backbone.
• Doubly Activated Supramolecular Reaction: Transesterification of Acyclic Oligoether Esters with Metal Alkoxides
  作者：Kazumitsu Kawakami、Yoshihisa Sei、Kentaro Yamaguchi、Akihiko Tsuda

  DOI：10.1021/jo102106g

  日期：2011.2.4

  Transesterification reactions of acyclic oligoether esters E3-E10 with metal alkoxides were accelerated upon noncovalent complexation of the esters with metal ions. In the reaction of monovalent alkaline metal alkoxides, CH3ONa and CH3OK, plots of the observed rate constants k(obs) with respect to the chain length of E3-E10 showed selective acceleration of the transesterification. Compared with the shortest E3, which can hardly bind metal ion, 4.3- and 6.6-fold accelerations in the Maxima were achieved in the combinations of E5/CH3ONa and E6/CH3OK, respectively. Supramolecular intermediate complex could be spectrometrically visualized by ESI-FT-ICR-MS in the course of reaction. Kinetic experiments, together with structural analyses by means of NMR, mass spectrometry, and DFT calculations of the intermediate complexes, indicate that a size-fit complex of host substitute with alkali metal ion allows strong electron withdrawing due to the close contact of the carbonyl oxygen to the metal ion, resulting in the selective rate enhancement of the reaction, while in the reaction of E3-E10 with a divalent alkaline earth metal alkoxide, (CH3-CH2O)(2)Ba, the k(obs) values increased stepwise with elongation of the side arm to attain an dramatic large acceleration. In comparison with the k(obs) of E3, 4610-fold acceleration was achieved in the reaction of E10. The double activation of the host substrate and guest counter nucleophile at once brings about this extraordinary rate acceleration. The strong wrapping complexation of long oligoether ester with barium ethoxide allows for the effective electron withdrawal from the ester carbonyl group (host activation) as well as separation of the accompanying guest alkoxide anions (guest activation).
• Kocian, Oldrich; Chiu, Kwok W.; Demeure, Roger, Journal of the Chemical Society. Perkin transactions I, 1994, # 5, p. 527 - 536
  作者：Kocian, Oldrich、Chiu, Kwok W.、Demeure, Roger、Gallez, Bernard、Jones, Christopher J.、Thornback, John R.

  DOI：——

  日期：——