1-ethyl-2-methylpyridinium ethylsulfate | 2073-75-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-ethyl-2-methylpyridinium ethylsulfate
• 英文别名: 1-Ethyl-2-methylpyridin-1-ium;ethyl sulfate
• CAS: 2073-75-8
• 化学式: C₂H₅O₄S*C₈H₁₂N
• 分子量: 247.315
• InChiKey: MEWPHGMMRAJQCL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.79
• 重原子数：
  16.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.31
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-ethyl-2-methylpyridinium ethylsulfate 、 potassium thioacyanate 以 丙酮 为溶剂， 反应 4.25h， 生成 2-methyl-N-ethylpyridinium thiocyanate
  参考文献：
  名称：

  Role of Alkyl Group in the Aromatic Extraction Using Pyridinium-Based Ionic Liquids

  摘要：

  The performance of N-alkylpyridinium-based ionic liquids with a SCN anion (PylLs) was evaluated for the selective extraction of aromatics from aliphatic hydrocarbons. The aromatic extraction ability of PyILs was greatly enhanced by the presence of a methyl group on the pyridinium ring at the 3- or 4-position, whereas the solubility of the aromatics in the PyILs decreased with increasing the number of methyl groups on the benzene ring. The FT-IR studies revealed that the solubility of an aromatic compound in a PyIL is closely correlated with the degree of aromatic C H bending frequency shift observed during the dissolution of the aromatic compound in the PyIL: the larger the shift, the higher the solubility. The computational calculations on the dispersion interactions between aromatics and PyILs demonstrated that the anion aromatic interaction is much more important than the cation aromatic interaction in determining the aromatic solubility in PyILs, and such anion aromatic interaction can be enhanced by introducing a methyl group at the carbon atom of the pyridinium ring.

  DOI：

  10.1021/jp409117j
• 作为产物：
  描述：

  碳酸甲丙酯 、 硫酸二乙酯 以 甲苯 为溶剂， 反应 6.0h， 生成 1-ethyl-2-methylpyridinium ethylsulfate
  参考文献：
  名称：

  Role of Alkyl Group in the Aromatic Extraction Using Pyridinium-Based Ionic Liquids

  摘要：

  The performance of N-alkylpyridinium-based ionic liquids with a SCN anion (PylLs) was evaluated for the selective extraction of aromatics from aliphatic hydrocarbons. The aromatic extraction ability of PyILs was greatly enhanced by the presence of a methyl group on the pyridinium ring at the 3- or 4-position, whereas the solubility of the aromatics in the PyILs decreased with increasing the number of methyl groups on the benzene ring. The FT-IR studies revealed that the solubility of an aromatic compound in a PyIL is closely correlated with the degree of aromatic C H bending frequency shift observed during the dissolution of the aromatic compound in the PyIL: the larger the shift, the higher the solubility. The computational calculations on the dispersion interactions between aromatics and PyILs demonstrated that the anion aromatic interaction is much more important than the cation aromatic interaction in determining the aromatic solubility in PyILs, and such anion aromatic interaction can be enhanced by introducing a methyl group at the carbon atom of the pyridinium ring.

  DOI：

  10.1021/jp409117j

文献信息

• [EN] PHOTOPOLYMER COMPRISING A NEW CLASS OF PHOTO INITIATOR<br/>[FR] PHOTOPOLYMÈRE COMPRENANT UNE NOUVELLE CLASSE DE PHOTO-INITIATEUR
  申请人：COVESTRO DEUTSCHLAND AG

  公开号：WO2016096639A1

  公开（公告）日：2016-06-23

  The present invention relates to photopolymer comprising a photopolymerizable component and a photo initiator system. Further aspects of the present invention are a holographic media which comprises such a photopolymer, a display which comprises such a holographic media and the use of such a holographic media to make chip cards, security documents, bank notes and / or holographic optical elements especially for displays.

  本发明涉及包括光聚合物可聚合组分和光引发剂系统的光聚合物。本发明的进一步方面包括包括这种光聚合物的全息介质、包括这种全息介质的显示器以及利用这种全息介质制作芯片卡、安全文件、银行票据和/或用于显示器的全息光学元件。
• PHOTOPOLYMER COMPRISING A NEW CLASS OF PHOTO INITIATOR
  申请人：Covestro Deutschland AG

  公开号：EP3234021A1

  公开（公告）日：2017-10-25
• PHOTOPOLYMER COMPRISING A NEW CLASS OF PHOTO INITATOR
  申请人：Covestro Deutschland AG

  公开号：US20170362349A1

  公开（公告）日：2017-12-21

  The present invention relates to photopolymer comprising a photopolymerizable component and a photo initiator system. Further aspects of the present invention are a holographic media which comprises such a photopolymer, a display which comprises such a holographic media and the use of such a holographic media to make chip cards, security documents, bank notes and/or holographic optical elements especially for displays.
• Role of Alkyl Group in the Aromatic Extraction Using Pyridinium-Based Ionic Liquids
  作者：Min Ji Kim、Seung Hoon Shin、Young Jin Kim、Minserk Cheong、Je Seung Lee、Hoon Sik Kim

  DOI：10.1021/jp409117j

  日期：2013.11.27

  The performance of N-alkylpyridinium-based ionic liquids with a SCN anion (PylLs) was evaluated for the selective extraction of aromatics from aliphatic hydrocarbons. The aromatic extraction ability of PyILs was greatly enhanced by the presence of a methyl group on the pyridinium ring at the 3- or 4-position, whereas the solubility of the aromatics in the PyILs decreased with increasing the number of methyl groups on the benzene ring. The FT-IR studies revealed that the solubility of an aromatic compound in a PyIL is closely correlated with the degree of aromatic C H bending frequency shift observed during the dissolution of the aromatic compound in the PyIL: the larger the shift, the higher the solubility. The computational calculations on the dispersion interactions between aromatics and PyILs demonstrated that the anion aromatic interaction is much more important than the cation aromatic interaction in determining the aromatic solubility in PyILs, and such anion aromatic interaction can be enhanced by introducing a methyl group at the carbon atom of the pyridinium ring.