poly(ethylene glycol)-borate ester | 908585-65-9

• 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
• 英文名称: poly(ethylene glycol)-borate ester
• 英文别名: Tris[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] borate
• CAS: 908585-65-9
• 化学式: C₇₅H₁₅₃BO₃₉
• 分子量: 1689.83
• InChiKey: ZXSVZQHQSRVMLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.51
• 重原子数：
  115
• 可旋转键数：
  111
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  360
• 氢给体数：
  0
• 氢受体数：
  39

反应信息

• 作为反应物：
  描述：

  poly(ethylene glycol)-borate ester 、 sodium perchlorate 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  B-podand complexes with sodium ions: the reaction heats and PM5 semiempirical calculation

  摘要：

  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.

  DOI：

  10.1016/j.molstruc.2006.10.050
• 作为产物：
  描述：

  十二乙二醇单甲醚 在 boronic acid 作用下， 以78%的产率得到poly(ethylene glycol)-borate ester
  参考文献：
  名称：

  一种新型的固-液相转移反应的B-Podand催化剂

  摘要：

  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。

  DOI：

  10.1016/j.tetlet.2006.06.016

文献信息

• Application of a new class B-podands in solid–liquid phase transfer catalysis
  作者：Bogusława Łęska、Radosław Pankiewicz、Grzegorz Schroeder、Angelamaria Maia

  DOI：10.1016/j.molcata.2007.01.017

  日期：2007.5

  As a continuation of our earlier systematic study, this paper reports on the performance of boron polypodands 1-8 (B-podands) as catalysts in a series of anion promoted reactions (nucleophilic substitution, reduction, N- and O-alkylation) in chlorobenzene, toluene and acetonitrile solutions carried out in the solid-liquid (SL) phase transfer catalysis (PTC) conditions. Comparison of the catalytic efficiency (expressed by observed rate constants) of 1-8 with that of well known classical phase transfer catalysts: crown ethers, polyethylene glycols (PEG) (9, 10) and previously studied Si-podands (11, 12) is also included. (c) 2007 Elsevier 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.
• 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。