malonic acid triethanolammonium salt

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: malonic acid triethanolammonium salt
• 英文别名: triethanolammonium hydrogenmalonate；2-[Bis(2-hydroxyethyl)amino]ethanol;propanedioic acid
• 化学式: C₃H₄O₄*C₆H₁₅NO₃
• 分子量: 253.252
• InChiKey: KSANQWOZSYNGRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.19
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  139
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  丙二酸 、 三乙胺 以 甲醇 为溶剂， 反应 1.0h， 以90%的产率得到malonic acid triethanolammonium salt
  参考文献：
  名称：

  基于二羧酸（草酸，丙二酸，琥珀酸）的三乙醇铵盐的离子液体。晶体结构和阳离子-阴离子相互作用

  摘要：

  合成了一系列基于二羧酸（草酸，丙二酸和琥珀酸）的三乙醇铵盐的离子液体，并通过IR和H 1，C 13 NMR光谱，热重分析（TGA）和差示扫描量热法（DSC）对其进行了表征。它们的结构通过单晶X射线衍射确定。结果发现，三乙醇[（HOCH 2 CH 2）3 NH] +草酸（盐阳离子1），丙二酸（2）和琥珀酸（3含一价阴离子）[OOC（CH 2）Ñ COOH] - （Ñ  = 0–2）分子内部构象，并且铵质子（H am）驻留在由3个与氮原子连接的CH 2 CH 2 OH分支形成的“灯罩”内部。琥珀酸盐（4）的第二种修饰的不对称电池包含两个三乙醇铵阳离子和一个琥珀酸二阴离子[（HOCH 2 CH 2）3 NH] 2 + [OOC（CH 2）2 COO] 2-。在该盐（4）中，三乙醇铵阳离子的一个CH 2 CH 2 OH分支绕N C键旋转（内-外构象）并形成无限的TEA链。首先在TEA的有机盐中发现

  DOI：

  10.1016/j.molliq.2016.12.111

文献信息

• Triethanolammonium salts of biologically active carboxylic acids
  作者：Yu. A. Kondratenko、T. A. Kochina、V. S. Fundamensky、Yu. G. Vlasov

  DOI：10.1134/s1070363215120075

  日期：2015.12

  Triethanolammonium salts (protatranes) of biologically active carboxylic acids (nicotinic, cinnamic, benzoic, salicylic, oxalic, malonic, succinic, malic, citric) were synthesized in yields exceeding 90%. The structure of the synthesized compounds was studied by IR spectroscopy and X-ray diffraction analysis.

  合成的生物活性羧酸（烟酸，肉桂酸，苯甲酸，水杨酸，草酸，丙二酸，琥珀酸，苹果酸，柠檬酸）的三乙醇铵盐（protatranes）的收率超过90％。通过红外光谱和X射线衍射分析研究了合成化合物的结构。
• Reactions of 1-Germatranol Hydrate with Dicarboxylic Acids
  作者：V. P. Baryshok、G. N. T. Le

  DOI：10.1134/s1070363221120112

  日期：2021.12

  The reactions of 1-germatranol hydrate with malonic, succinic, maleic, cork, sebacic acids, and bistrimethylsilyl ester of succinic acid, and also of bis(germatran-1-yl)oxane with succinic acid in acetonitrile, water, methanol, and dimethylsulfoxide were studied. In organic solvents, mono- and dicarboxyl-substituted 1-germatranols are formed, which, like 1-germatranol, are reversibly hydrolyzed with

  1-germatranol 水合物与丙二酸、丁二酸、马来酸、软木酸、癸二酸和丁二酸的双三甲基甲硅烷酯，以及双(germatran-1-yl)oxane 与丁二酸在乙腈、水、甲醇和二甲亚砜中的反应进行了研究。在有机溶剂中，形成单羧基和双羧基取代的 1-germatranol，其与 1-germatranol 一样，在酸性介质中与水可逆地水解。由于蒸发和拓扑化学反应从反应混合物中除去水会增加酯化 1-germatranol 的产率。
• Biological Activity of Protic Ionic Liquids Based on Tris(2-hydroxyethyl)ammonium Salts and the Crystal Structure of Tris(2-hydroxyethyl)ammonium Malate
  作者：Yu. A. Kondratenko、V. V. Gurzhii、G. G. Panova、L. M. Anikina、O. R. Udalova、V. I. Krutikov、V. L. Ugolkov、T. A. Kochina

  DOI：10.1134/s0036023620090089

  日期：2020.9

  The antimicrobial and growth-stimulating activities of nine protic ionic liquids (PILs)-tris(2-hydroxyethyl)ammonium salts (protatranes) of cinnamic, benzoic, salicylic, oxalic, malonic, succinic, malic and citric acids-were investigated for the first time. It was found that tris(2-hydroxyethyl)ammonium salts of cinnamic, benzoic and malonic acids have a positive impact on seeds germination and growth characteristics of garden cress (Lepidium sativumL.) sprouts. All the investigated PILs exhibited selective activity againstStaphylococcus aureusbacteria.PILs based on tris(2-hydroxyethyl)ammonium malate with the melting point of 41 degrees C were isolated as crystals to perform a comparative study of the crystal structure by single-crystal X-ray diffraction. In contrast to cations in tris(2-hydroxyethyl)ammonium succinate, cations in malate have a tricyclicendoconformation that is most typical of tris(2-hydroxyethyl)ammonium salts.
• IMPROVED TITANIUM DIOXIDE PIGMENTS
  申请人：KERR-McGEE CHEMICAL CORPORATION

  公开号：EP0345267A1

  公开（公告）日：1989-12-13
• US4752340A
  申请人：——

  公开号：US4752340A

  公开（公告）日：1988-06-21