5-Decyl-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]benzoic acid | 142723-20-4

• 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: 5-Decyl-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]benzoic acid
• CAS: 142723-20-4
• 化学式: C₃₂H₄₈O₇
• 分子量: 544.729
• InChiKey: ZVXSCICHORQUGO-UHFFFAOYSA-N

物化性质

• 沸点：
  654.6±55.0 °C(Predicted)
• 密度：
  1.070±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  39
• 可旋转键数：
  25
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  83.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  5-Decyl-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]benzoic acid 在 palladium on activated charcoal 氢气 、 对甲苯磺酸 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以74%的产率得到5-Decyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzoic acid
  参考文献：
  名称：

  Competitive solvent extraction of alkali metal cations into chloroform by lipophilic acyclic proton-ionizable polyethers

  摘要：

  A series of lipophilic acyclic polyether carboxylic acids and a corresponding polyether phosphonic acid monoethyl ester were synthesized in which the unit that contains the lipophilic and the proton-ionizable groups is held constant, but the polyether chain and its terminal group are systematically varied, Competitive solvent extraction of alkali metal cations from aqueous solutions into chloroform was performed to assess the influence of structural variation within the extractant molecule upon the extraction selectivity and efficiency. Many of the ionophores exhibited extraction selectivity for Li+. One of the simplest chelating agents gave an extraction selectivity order of Li+ >> Na+ > K+, Rb+ > Cs+ and a Li+/Na+ selectivity ratio of 4.9, while the selectivity ratios for Li+ over K+, Rb+, and Cs+ were 12 or higher.

  DOI：

  10.1021/ac00039a011
• 作为产物：
  描述：

  1-phenyl-2,5,8,11-tetraoxatridecan-13-yl 4-methylbenzenesulfonate 在 盐酸 、 sodium hydroxide 、 sodium hydride 作用下， 反应 74.0h， 生成 5-Decyl-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]benzoic acid
  参考文献：
  名称：

  Competitive solvent extraction of alkali metal cations into chloroform by lipophilic acyclic proton-ionizable polyethers

  摘要：

  A series of lipophilic acyclic polyether carboxylic acids and a corresponding polyether phosphonic acid monoethyl ester were synthesized in which the unit that contains the lipophilic and the proton-ionizable groups is held constant, but the polyether chain and its terminal group are systematically varied, Competitive solvent extraction of alkali metal cations from aqueous solutions into chloroform was performed to assess the influence of structural variation within the extractant molecule upon the extraction selectivity and efficiency. Many of the ionophores exhibited extraction selectivity for Li+. One of the simplest chelating agents gave an extraction selectivity order of Li+ >> Na+ > K+, Rb+ > Cs+ and a Li+/Na+ selectivity ratio of 4.9, while the selectivity ratios for Li+ over K+, Rb+, and Cs+ were 12 or higher.

  DOI：

  10.1021/ac00039a011