3-[3-(2-carboxyethyl)-2-methoxyphenyl]propionic acid | 144587-96-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-[3-(2-carboxyethyl)-2-methoxyphenyl]propionic acid
• 英文别名: 3,3'-(2-methoxy-m-phenylene)-di-propionic acid；3,3'-(2-Methoxy-m-phenylen)-di-propionsaeure；2-Methoxy-1.3-bis-(2-carboxy-aethyl)-benzol；3-[3-(2-Carboxyethyl)-2-methoxyphenyl]propanoic acid
• CAS: 144587-96-2
• 化学式: C₁₃H₁₆O₅
• 分子量: 252.267
• InChiKey: MTKVAABFFHGIHU-UHFFFAOYSA-N

物化性质

• 沸点：
  434.4±35.0 °C(Predicted)
• 密度：
  1.252±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-[3-(2-carboxyethyl)-2-methoxyphenyl]propionic acid 在 乙醇 、 水 、 硝酸 、 copper(II) sulfate 、 铂 作用下， 生成 3,3'-(5-cyano-2-methoxy-m-phenylene)-di-propionic acid
  参考文献：
  名称：

  201.马钱子碱和马钱子碱。第XLV部分。综合实验。第三部分

  摘要：

  DOI：

  10.1039/jr9460000912
• 作为产物：
  描述：

  3-[3-(2-Cyanoethyl)-2-methoxyphenyl]propanenitrile 在 sodium hydroxide 作用下， 反应 18.0h， 以55%的产率得到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

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
• 201. Strychnine and brucine. Part XLV. Synthetical experiments. Part III
  作者：H. T. Openshaw、Robert Robinson

  DOI：10.1039/jr9460000912

  日期：——
• 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.