三(2-羟基乙基)铵邻甲苯氧基乙酸盐 | 55543-68-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 三(2-羟基乙基)铵邻甲苯氧基乙酸盐
• 英文名称: 2-(2-methylphenyloxy)acetate of tris(2-hydroxyethyl)-ammonium
• 英文别名: 2-methylphenoxyacetic acid tris(2-hydroxyethyl)ammonium salt；tris(2-hydroxyethyl)ammonium 2-methylphenyloxyacetate；tris(2-hydroxyethyl)ammonium 2-methylphenoxyacetate；tris(2-hydroxyethyl)amine 2-methylphenoxyacetate；triethanolammonium 2-methylphenoxyacetate；triethanolammonium o-methylphenoxyacetate；Tris-(2-hydroxyethyl)ammonium 2-methylphenoxyacetate；2-(2-methylphenoxy)acetate;tris(2-hydroxyethyl)azanium
• CAS: 55543-68-5
• 化学式: C₆H₁₆NO₃*C₉H₉O₃
• 分子量: 315.367
• InChiKey: YUXPJMWDDQCARU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.28
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  111
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  zinc(II) acetate dihydrate 、 三(2-羟基乙基)铵邻甲苯氧基乙酸盐 以 甲醇 为溶剂， 以89%的产率得到(triethanolammonium o-methylphenoxyacetate)*Zn(CH3COO)2
  参考文献：
  名称：

  Complexes of triethanolamine with aroxyacetic acids and their metal salts as a new class of biologically active compounds

  摘要：

  A series of complexes of triethanolamine with metal salts of aroxyacetic acids has been prepared. The complexes are perspective biologically active compounds for search for new immunomodulating, antistress, anti-inflammatory and other types of agents. The structure and acid-base properties of these compounds were studied by NMR and IR spectroscopy and potentiometric titration.

  DOI：

  10.1134/s107036320809017x
• 作为产物：
  描述：

  2-甲基苯氧基乙酸 、 三乙醇胺盐酸盐 反应 1.0h， 以99.8%的产率得到三(2-羟基乙基)铵邻甲苯氧基乙酸盐
  参考文献：
  名称：

  三（2-羟乙基）铵的生物活性Get（芳基）硫属乙酸乙酸酯合成的新方法

  摘要：

  通过一锅法使杂芳基硫属酰基乙酸与氢氧化钠（钾）和三乙醇胺盐酸盐反应，定量合成了药理学纯度的三（2-羟乙基）铵的生理和药理学活性的杂芳基硫属乙酸酯。 （高达99.8％）。

  DOI：

  10.1134/s1070363218100353

文献信息

• Complex compounds of biogenic metals, aroxyacetic acids, and triethanolamine
  作者：S. N. Adamovich、T. V. Kashik、N. N. Chipanina、R. G. Mirskov、A. N. Mirskova、M. G. Voronkov

  DOI：10.1134/s1070427209050218

  日期：2009.5

  A series of previously unknown promising biologically active compounds, complexes of biogenic metal salts, aroxyacetic acid salts, and triethanolamine, were prepared. The structure and acid-base properties of these compounds were studied by NMR and IR spectroscopy and by potentiometric titration.
• Reaction of 1-alkylsilatranes with 2-methylphenoxyacetic acid
  作者：S. N. Adamovich、A. I. Albanov、A. N. Mirskova、R. G. Mirskov、M. G. Voronkov

  DOI：10.1134/s1070363209060334

  日期：2009.6
• Reaction of tris(2-hydroxyethyl)amine hydrochloride with zinc diacetate and bis(2-methylphenoxy)acetate
  作者：S. N. Adamovich、R. G. Mirskov、A. N. Mirskova、M. G. Voronkov

  DOI：10.1134/s1070363210100154

  日期：2010.10

  Reaction of tris(2-hydroxyethyl)amine hydrochloride Cl- N+H(CH2CH2OH)(3) with zinc diacetate and bis(2-methylphenoxy)acetate in the molar ratio 2: 1 results in complexes 2[Cl- N+H(CH2CH2OH)(3)](center dot) Zn (OCOR)(2) (I, II) R= Me (I), 2-MeC6H4OCH2 (II), which contain two protatrane cations linked with zinc diacylate by two coordination bonds HO -> Zn. Complexes I and II are also formed by the reaction of the corresponding tris(2-hydroxyethyl)amine hydrochloride acylate RCOO-N+H(CH2CH2OH)(3) with ZnCl2. The structure of complexes I, II is proved by elemental analysis, IR and H-1, C-13, N-15 NMR spectroscopy.