methyl 2-[2-methoxy-3-(2-methylsulfonyloxyethyl)phenyl]ethanesulfonate | 144587-94-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: methyl 2-[2-methoxy-3-(2-methylsulfonyloxyethyl)phenyl]ethanesulfonate
• 英文别名: 2-[2-Methoxy-3-(2-methylsulfonyloxyethyl)phenyl]ethyl methanesulfonate
• CAS: 144587-94-0
• 化学式: C₁₃H₂₀O₇S₂
• 分子量: 352.43
• InChiKey: NEDCTGMGFNVFBS-UHFFFAOYSA-N

物化性质

• 沸点：
  565.6±50.0 °C(Predicted)
• 密度：
  1.320±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 2-[2-methoxy-3-(2-methylsulfonyloxyethyl)phenyl]ethanesulfonate 在 sodium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 36.0h， 生成 3-[3-(2-carboxyethyl)-2-methoxyphenyl]propionic acid
  参考文献：
  名称：

  Novel cryptand chromoionophores for determination of lithium ions

  摘要：

  The syntheses and chromogenic properties of three novel chromogenic (p-nitrophenyl)azo-labeled cryptands 1-3, having inward-facing phenolic groups, are described. Cryptand chromoionophore 1 has the smallest cavity of the three cryptands and exhibits total selectivity for Li+ over Na+ ions in 10% aqueous diethylene glycol monoethyl ether (DEGMEE). The association constant of 3200 M-1 was obtained in 10% aqueous DEGMEE/TMA(OH) for the 1-.Li+ complex. Compound 1 is potentially applicable for the colorimetric analysis of lithium ions in largely aqueous solutions. The slightly larger chromoionophore 2, in which diaza-12-crown-4 moiety is connected with the aromatic subunit via three-carbon bridges, is highly selective for Li+ ions in the extraction mode and shows no cation response in homogeneous aqueous media. A larger analog of 1, chromogenic cryptand 3, which incorporates diaza-18-crown-6 moiety, exhibits K+ ion selectivity in aqueous solutions.

  DOI：

  10.1021/jo00051a010
• 作为产物：
  描述：

  2,6-二甲基大茴香醚 在 sodium hydroxide 、 lithium aluminium tetrahydride 、 过氧化氢苯甲酰 、 1,3-二溴-5,5-二甲基海因 、 十六烷基二甲基乙基溴化铵 、 对甲苯磺酸 、 三乙胺 作用下， 以 四氯化碳 、 乙醚 、 二氯甲烷 、 水 、 苯 为溶剂， 反应 10.0h， 生成 methyl 2-[2-methoxy-3-(2-methylsulfonyloxyethyl)phenyl]ethanesulfonate
  参考文献：
  名称：

  Novel cryptand chromoionophores for determination of lithium ions

  摘要：

  The syntheses and chromogenic properties of three novel chromogenic (p-nitrophenyl)azo-labeled cryptands 1-3, having inward-facing phenolic groups, are described. Cryptand chromoionophore 1 has the smallest cavity of the three cryptands and exhibits total selectivity for Li+ over Na+ ions in 10% aqueous diethylene glycol monoethyl ether (DEGMEE). The association constant of 3200 M-1 was obtained in 10% aqueous DEGMEE/TMA(OH) for the 1-.Li+ complex. Compound 1 is potentially applicable for the colorimetric analysis of lithium ions in largely aqueous solutions. The slightly larger chromoionophore 2, in which diaza-12-crown-4 moiety is connected with the aromatic subunit via three-carbon bridges, is highly selective for Li+ ions in the extraction mode and shows no cation response in homogeneous aqueous media. A larger analog of 1, chromogenic cryptand 3, which incorporates diaza-18-crown-6 moiety, exhibits K+ ion selectivity in aqueous solutions.

  DOI：

  10.1021/jo00051a010

文献信息

• Ligational Properties of Two New Phenolic Aza Cages towards Proton and Alkali Metal Ions − a Theoretical and an Experimental Approach
  作者：Paolo Dapporto、Mauro Formica、Vieri Fusi、Luca Giorgi、Mauro Micheloni、Roberto Pontellini、Paola Paoli、Patrizia Rossi

  DOI：10.1002/1099-0682(200107)2001:7<1763::aid-ejic1763>3.0.co;2-f

  日期：2001.7
• Synthetic Route To Produce Phenol-Containing Azamacropolycycles
  作者：Enrico Bardazzi、Mario Ciampolini、Vieri Fusi、Mauro Micheloni、Nicoletta Nardi、Roberto Pontellini、Paolo Romani

  DOI：10.1021/jo980971l

  日期：1999.2.1
• Novel cryptand chromoionophores for determination of lithium ions
  作者：Wolodymyr Zazulak、Eddy Chapoteau、Bronislaw P. Czech、Anand Kumar

  DOI：10.1021/jo00051a010

  日期：1992.12

  The syntheses and chromogenic properties of three novel chromogenic (p-nitrophenyl)azo-labeled cryptands 1-3, having inward-facing phenolic groups, are described. Cryptand chromoionophore 1 has the smallest cavity of the three cryptands and exhibits total selectivity for Li+ over Na+ ions in 10% aqueous diethylene glycol monoethyl ether (DEGMEE). The association constant of 3200 M-1 was obtained in 10% aqueous DEGMEE/TMA(OH) for the 1-.Li+ complex. Compound 1 is potentially applicable for the colorimetric analysis of lithium ions in largely aqueous solutions. The slightly larger chromoionophore 2, in which diaza-12-crown-4 moiety is connected with the aromatic subunit via three-carbon bridges, is highly selective for Li+ ions in the extraction mode and shows no cation response in homogeneous aqueous media. A larger analog of 1, chromogenic cryptand 3, which incorporates diaza-18-crown-6 moiety, exhibits K+ ion selectivity in aqueous solutions.