1-butyl-3-methyl-1H-imidazol-3-ium 2-acrylamido-2-methylpropane-1-sulfonate | 1268626-84-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-butyl-3-methyl-1H-imidazol-3-ium 2-acrylamido-2-methylpropane-1-sulfonate
• 英文别名: 1-butyl-3-methylimidazolium 2-acrylamido-2-methyl-1-propanesulfonate
• CAS: 1268626-84-1
• 化学式: C₇H₁₂NO₄S*C₈H₁₅N₂
• 分子量: 345.463
• InChiKey: CJNWYGJSGNGUEV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.73
• 重原子数：
  23.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  95.11
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  氯化(1-丁基-3-甲基咪唑) 、 sodium 2-acrylamido-2-methylpropane-1-sulfonate 以 丙酮 为溶剂， 反应 96.0h， 生成 1-butyl-3-methyl-1H-imidazol-3-ium 2-acrylamido-2-methylpropane-1-sulfonate
  参考文献：
  名称：

  基于 AMPS 的有机盐的细胞毒性、哈米特酸度和 CO2 溶解度：实验和计算工具的比较分析

  摘要：

  摘要 含有 1-乙基-3-甲基咪唑鎓（[emim]）、1-丁基-3-甲基咪唑鎓（[bmim]）、1-苄基-3-甲基咪唑鎓（[ bnmim])、1-丁基-1 甲基吡咯烷 ([bmpyr])、N-丁基吡啶 ([bpyn])、吗啉 ([mrph]) 和（乙烯基苄基）三甲基铵 ([vbn])，作为阳离子源与 2-对丙烯酰胺-2-甲基-1-丙磺酸盐 ([AMPS]) 阴离子进行了研究。大肠杆菌 E149 (EC)、嗜水气单胞菌 A97 (AH) 和金黄色葡萄球菌 S244 (SA) 用于测定制备的 ILs 的毒性。进行分子对接研究以确认分子与目标复合物的结合相互作用。在实验和理论结果之间观察到良好的相关性。研究的 IL 的哈米特酸度函数是从哈米特方程计算出来的。此外，还进行了 COSMO-RS 计算研究，以研究所研究 ILs 中的阳离子结构变化对 ILs 与 CO2 相互作用的影响。目前的工作提供了对基于

  DOI：

  10.1016/j.molstruc.2019.127255

文献信息

• [EN] COMPOSITIONS AND ARTICLES COMPRISING POLYMERIZABLE IONIC LIQUID MIXTURE, AND METHODS OF CURING<br/>[FR] COMPOSITIONS ET ARTICLES COMPRENANT UN MÉLANGE LIQUIDE IONIQUE POLYMÉRISABLE, ET PROCÉDÉS DE DURCISSEMENT
  申请人：3M INNOVATIVE PROPERTIES CO

  公开号：WO2011025847A3

  公开（公告）日：2015-09-24
• Investigation of the Thermophysical Properties of AMPS-Based Aprotic Ionic Liquids for Potential Application in CO₂ Sorption Processes
  作者：Sabahat Sardar、Cecilia Devi Wilfred、Asad Mumtaz、Jean-Marc Leveque

  DOI：10.1021/acs.jced.7b00552

  日期：2017.12.14

  The thermophysical properties such as density, refractive index, and viscosity of five aprotic ILs bearing imidazolium (1-ethyl-3-methylimidazolium [emim], 1-butyl-3-methylimidazolium [bmim], 1-benzyl-3-methylimidazolium [bnmim]), pyrrolidinium (1-butyl-1methylpyrrolidinium [bmpyr]), and pyridinium (N-butylpyridinium [bpyn]) cations with 2-acryloamido-2-methylpropanesulfonate [AMPS] anion were studied, and their effect on CO2 solubility was explored. The density and viscosity were determined within the temperature range of (293.15 to 363.15) K at atmospheric pressure, while refractive indices were measured within the temperature range of (288.15 to 333.15) K. Among imidazoliurn cations, increasing the side chain length resulted in increased refractive index and viscosity with a corresponding decrease in density. In the presented ILs, [emim] [AMPS] showed the highest density and least viscosity over the entire temperature range and an enhanced CO2 dissolution of 0.40 mole fraction at 1 MPa was observed at 298.15 K. Moreover, the Henry's constant of [emim] [AMPS] was determined to be 1.957 MPa which was 49.5, 65.5, 21, and 53% less than [bmim] [AMPS], [bnmim] [AMPS], [bmpyr] [AMPS], and [bpyn] [AMPS], respectively. The present study provides a better understanding of the structure activity relationship between CO2 sorption and physicochemical properties of studied ILs.