2-[2-(2-甲氧基乙氧基)乙氧基]乙醇硼酸三酯 | 30989-05-0

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 中文名称: 2-[2-(2-甲氧基乙氧基)乙氧基]乙醇硼酸三酯
• 英文名称: tris(1,4,7,10-tetraoxaundecane)borate
• 英文别名: tris(methoxyethoxyethoxyethyl) borate；tris(2-(2-(2-methoxyethoxy)ethoxy)ethyl) borate；Tris(2-(2-(2-methoxyethoxy)ethoxy)ethyl) orthoborate；tris[2-[2-(2-methoxyethoxy)ethoxy]ethyl] borate
• CAS: 30989-05-0
• 化学式: C₂₁H₄₅BO₁₂
• 分子量: 500.392
• InChiKey: BYRJZJXBVKUYFH-UHFFFAOYSA-N

物化性质

• 沸点：
  493.3±45.0 °C(Predicted)
• 密度：
  1.056±0.06 g/cm3(Predicted)
• LogP：
  1 at 20℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.06
• 重原子数：
  34
• 可旋转键数：
  30
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  12

安全信息

• 海关编码：
  2920909090

反应信息

• 作为反应物：
  描述：

  chloroauric acid 、 2-[2-(2-甲氧基乙氧基)乙氧基]乙醇硼酸三酯 以 乙醇 为溶剂， 生成 tris(1,4,7,10-tetraoxaundecane) borate*HAuCl4
  参考文献：
  名称：

  FT-IR and NMR study of tris(oxaalkyl) borates and their complexes with HAuCl4

  摘要：

  Three tris(oxaalkyl) berates and their complexes with HAuCl4 were studied by FT-IR, H-1 and C-13 NMR spectroscopy. Continuous absorption in the FT-IR spectra of the complexes testifies the formation of proton channels showing large proton polarizability. The shape of the proton potential is discussed on the basis of the NMR data. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(99)00281-1
• 作为产物：
  描述：

  三甘醇单甲醚 在 硼酸 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以90%的产率得到2-[2-(2-甲氧基乙氧基)乙氧基]乙醇硼酸三酯
  参考文献：
  名称：

  Nanocomposites based on borate esters as improved lithium-ion electrolytes

  摘要：

  研究了不同长度的乙烯氧基单位的硼酸酯作为锂盐（如三氟甲烷磺酸锂、过氯酸锂、双（ trifluoromethanesulfonyl）亚胺、双（ pentafluoroethanesulfonyl）亚胺和双（草酸）硼酸盐）的电解质溶剂。在室温下，盐溶液的离子导电率测得为10−3到10−4 S cm−1量级。硼酸酯-过氯酸锂体系的传输数测量结果表明，阳离子和阴离子对总导电率的贡献大致相等，而硼酸酯-双（草酸）硼酸锂则显示出以阴离子导电为主。通过用二氧化硅进行异质掺杂制备了纳米复合电解质。掺杂10 nm二氧化硅颗粒的复合材料表现出低粘度电解质特性，在非常低的二氧化硅体积分数下有明显但适度的导电性增强，而在较高体积分数下导电率则降低。在气相二氧化硅（7 nm）的情况下，纳米复合材料在足够高的体积分数下呈现出果冻状的透明外观，并具备高粘度半固体的良好机械性能，同时锂离子导电率没有明显下降。特别是最后一种材料由于其良好的电学、机械和光学性能，承诺成为各种应用（锂电池、太阳能电池）的可行候选材料。

  DOI：

  10.1039/c1jm11189b

文献信息

• FTIR and multinuclear magnetic resonance studies of tris(oxaalkyl) borates and their complexes with Li+ and Na+ cations
  作者：Błażej Gierczyk、Grzegorz Schroeder、Grzegorz Wojciechowski、Bartosz Różalski、Bogumil Brzezinski、Georg Zundel

  DOI：10.1039/a905871k

  日期：——

  FTIR and NMR of 1H, 13C, 11B, 7Li and 23Na nuclei were used for the study of the complexation of Li+ and Na+ cations by three tris(oxaalkyl) borates. The NMR techniques proved the formation of complexes and the fluctuation of Li+ and Na+ cations in the respective channels formed by three oxaalkyl chains. In the FTIR spectra of Li+ complexes with three tris(oxaalkyl) borates, continuous absorption in the far-infrared region indicates the fast fluctuations of Li+ ion between O atoms of the channels. The dependence of the continua shape on the length of the channels, i.e., the number of minima in the multiminima potentials, demonstrates that the fluctuation of Li+ ion occurs along the channel. Owing to the larger mass and diameter of the Na+ cation in the Na+–tris(oxaalkyl) borate complexes, only systems with longer channels show a large Na+ polarizability due to the fast fluctuation of Na+ cations in a multiminima potential.

  FTIR和NMR（1H、13C、11B、7Li和23Na核）用于研究Li+和Na+阳离子与三种三（氧烷基）硼酸盐的络合。NMR技术证明了络合物的形成以及Li+和Na+阳离子在三条氧烷基链形成的相应通道中的波动。在Li+与三种三（氧烷基）硼酸盐的络合物FTIR光谱中，远红外区域的连续吸收表明Li+离子在通道的O原子之间快速波动。连续吸收形状对通道长度的依赖性，即多重势能中的极小值数量，表明Li+离子的波动沿通道发生。由于Na+阳离子在Na+–三（氧烷基）硼酸盐络合物中的质量和直径较大，仅有较长通道的系统显示出较大的Na+极化率，这是由于Na+阳离子在多重势能中快速波动所致。
• Synthesis and Modeling of Polysiloxane-Based Salt-in-Polymer Electrolytes with Various Additives
  作者：Y. Karatas、Radha D. Banhatti、N. Kaskhedikar、M. Burjanadze、K. Funke、Hans-D. Wiemhöfer

  DOI：10.1021/jp907832q

  日期：2009.11.26

  e., nanosized ceramic fillers (α-Al2O3 and SiO2, up to 10 wt %) as well as two low molecular weight borate esters (tris(2-(2-methoxyethoxy)ethyl) borate (B2) and tris(2-(2-(2-methoxyethoxy)ethoxy)ethyl) borate (B3)) with maximum concentrations of 40 wt % as referred to polysiloxane T0.1OPS. The addition of borate esters resulted in a considerable increase of the conductivity, while still maintaining

  纳米粒子和低分子量硼酸酯对交联聚硅氧烷的离子电导率的影响通过在-30至90°C之间的阻抗状态下测量电导率谱来系统地研究。通过将三氟甲磺酸锂（LiSO 3 CF 3）溶解在每个硅上带有一个甲基和一个低聚侧基的梳状聚硅氧烷中来制备聚合物盐电解质。10摩尔％的低聚醚侧基表现出用作交联剂部分的末端烯丙基三甲氧基硅烷（T 0.1 OPS）。如此制备的聚合物电解质膜是完全无定形的并且机械稳定，最佳电导率为5.7×10 -5 S·cm -1在三氟甲磺酸锂的15重量％（LISO 3 CF 3）在室温下（T 0.1 OPS + 15％（重量）LISO 3 CF 3）。有关添加剂的影响，即，纳米尺寸的陶瓷填充物（α-Al系进一步调查2 ö 3和SiO 2，高达10重量％），以及两个低分子量硼酸酯（三（2-（2-甲氧基乙氧基）乙基）相对于聚硅氧烷T 0.1的最大浓度为40 wt％的硼酸盐（B2）和三（2-（2-
• A new type of B-podand catalysts for solid–liquid phase transfer reactions
  作者：Bogusława Łęska、Radosław Pankiewicz、Grzegorz Schroeder、Angelamaria Maia

  DOI：10.1016/j.tetlet.2006.06.016

  日期：2006.8

  (B-podands) were studied as strong complexing agents of alkali metal cations and very powerful catalysts in typical anion promoted reactions under solid–liquid conditions, even in chlorobenzene and acetonitrile. The results were comparable with the catalytic activity of classical phase transfer catalysts: crown ethers, polyethylene glycols (PEG) and previously studied Si-podands.

  硼podands 1 - 4（B-podands）进行了研究碱金属阳离子的强络合剂，非常强大的催化剂在典型阴离子促进固-液的条件下反应，即使在氯苯和乙腈。结果与经典相转移催化剂的催化活性相当：冠醚，聚乙二醇（PEG）和先前研究的Si-Podands。
• Multinuclear NMR studies of tris(oxaalkyl) borates and their complexes with some metal cations
  作者：B. Gierczyk、G. Schroeder、B. Nowak-Wydra、G. Wojciechowski、B. Brzezinski

  DOI：10.1016/s0022-2860(99)00113-1

  日期：1999.12

  Nuclear magnetic resonance (NMR) of H-1, C-13, B-11 and O-17 nuclei has been used for the study of complexation of CoCl2, NiCl2 and CuCl2 salts with three tris(oxaalkyl) berates. All NMR techniques demonstrated the formation of complexes but the most informative were the C-13 and O-17 NMR measurements. The structures of the complexes formed are discussed in this article. (C) 1999 Elsevier Science B.V. All rights reserved.
• B-podand complexes with sodium ions: the reaction heats and PM5 semiempirical calculation
  作者：Bogusława Łęska、Radosław Pankiewicz、Oksana Nevecheriya、Volodimir I. Rybachenko、Grzegorz Schroeder、Bogumił Brzezinski

  DOI：10.1016/j.molstruc.2006.10.050

  日期：2007.9

  The complexation reactions of two types of tris(oxaalkyl) borates (B-podands with CH3 Or C16H33 terminal groups) with Na+ cations have been studied by calorimetric and PM5 theoretical methods. Both methods provide evidence for formation of the respective complexes with Na+ cations of different stoichiometry. For compounds with short oxaalkyl chains the formation of 1:1 complexes and for compounds with longer oxaalkyl chains the formation of 1:x (x > 1) complexes has been found. The stoichiometry of the complexes estimated from the HOF values of the complexes is in well agreement with the calorimetric results. The structures of the complexes are visualised using semiempirical PM5 method. (C) 2007 Published by Elsevier B.V.