1-methyl-3-m-methoxybenzylimidazolium chloride | 958445-58-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-methyl-3-m-methoxybenzylimidazolium chloride
• 英文别名: methoxybenzylmimCl；1-Methyl-3-m-methoxylbenzylimidazolium chloride；1-[(3-methoxyphenyl)methyl]-3-methylimidazol-3-ium;chloride
• CAS: 958445-58-4
• 化学式: C₁₂H₁₅N₂O*Cl
• 分子量: 238.717
• InChiKey: MWXSGAGBIUAQBD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.63
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  18
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 1-methyl-3-m-methoxybenzylimidazolium chloride 在 silver(l) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以72%的产率得到
  参考文献：
  名称：

  [MCl2Cp*]2 (M = Ir, Rh) 对间位取代的 N-苯基和 N-苄基咪唑鎓盐的乙酸盐辅助环金属化的空间效应

  摘要：

  间取代的N-苯基、N'-甲基和N-苄基、N'-甲基咪唑鎓盐经历乙酸盐辅助的环金属化以提供邻位和对位取代的环金属化配合物的混合物。讨论了取代基对异构体比例的影响；在衍生自N-苄基咪唑鎓盐的 6 元环中，空间效应比衍生自N-苯基盐的5 元环更重要。与一些其他常见的导向组进行空间效应比较。

  DOI：

  10.1039/d1dt02677a
• 作为产物：
  描述：

  N-甲基咪唑 、 3-甲氧基氯苄 以 乙腈 为溶剂， 反应 20.0h， 以84%的产率得到1-methyl-3-m-methoxybenzylimidazolium chloride
  参考文献：
  名称：

  [MCl2Cp*]2 (M = Ir, Rh) 对间位取代的 N-苯基和 N-苄基咪唑鎓盐的乙酸盐辅助环金属化的空间效应

  摘要：

  间取代的N-苯基、N'-甲基和N-苄基、N'-甲基咪唑鎓盐经历乙酸盐辅助的环金属化以提供邻位和对位取代的环金属化配合物的混合物。讨论了取代基对异构体比例的影响；在衍生自N-苄基咪唑鎓盐的 6 元环中，空间效应比衍生自N-苯基盐的5 元环更重要。与一些其他常见的导向组进行空间效应比较。

  DOI：

  10.1039/d1dt02677a

文献信息

• Effect of Ionic Liquids on the Menschutkin Reaction: An Experimental and Theoretical Study
  作者：Riccardo Bini、Cinzia Chiappe、Christian Silvio Pomelli、Benedetta Parisi

  DOI：10.1021/jo9009408

  日期：2009.11.20

  liquids (ILs) on the Menschutkin reaction between N-methylimidazole and benzyl halides has been investigated. Hammett correlations have been used to obtain information on the reaction mechanism of benzyl chlorides in ionic and molecular solvents. The solvent effects on this reaction have been examined using both multiparameter linear solvation energy relationships and theoretical calculations. These

  研究了离子液体（ILs）对N-甲基咪唑和苄基卤化物之间的Menschutkin反应的影响。Hammett相关性已用于获得有关苄基氯在离子和分子溶剂中的反应机理的信息。使用多参数线性溶剂化能量关系和理论计算都检查了溶剂对该反应的影响。后者是使用超分子方法完成的，即IL以明确的离子对IP表示。已经获得了改变IL-IP相对于试剂的位置的两种可能的不同反应途径。假设在IL内苄氯与N的Menschutkin反应考虑到离子介质中动态异质性对过渡态寿命时间尺度的影响，-甲基咪唑可以遵循不同的反应途径。
• Dissolution of Wood in Ionic Liquids
  作者：Ilkka Kilpeläinen、Haibo Xie、Alistair King、Mari Granstrom、Sami Heikkinen、Dimitris S. Argyropoulos

  DOI：10.1021/jf071692e

  日期：2007.10.1

  The present paper demonstrates that both hardwoods and softwoods are readily soluble in various imidazolium-based ionic liquids (ILs) under gentle conditions. More specifically, a variety of ionic liquids can only partially dissolve wood chips, whereas ionic liquids such as 1-butyl-3-methylimida-zolium chloride and 1-allyl-3-methylimidazolium chloride have good solvating power for Norway spruce sawdust and Norway spruce and Southern pine thermomechanical pulp (TMP) fibers. Despite the fact that the obtained solutions were not fully clear, these ionic liquids provided solutions which permitted the complete acetylation of the wood. Alternatively, transparent amber solutions of wood could be obtained when the dissolution of the same lignocellulosic samples was attempted in 1-benzyl-3-methylimidazolium chloride. This realization was based on a designed augmented interaction of the aromatic character of the cation of the ionic liquid with the lignin in the wood. After dissolution, wood can be regenerated as an amorphous mixture of its original components. The cellulose of the regenerated wood can be efficiently digested to glucose by a cellulase enzymatic hydrolysis treatment. Furthermore, completely acetylated wood was found to be readily soluble in chloroform, allowing, for the first time, detailed proton nuclear magnetic resonance (NMR) spectra and NMR diffusion measurements to be made. It was thus demonstrated that the dissolution of wood in ionic liquids now offers a variety of new possibilities for its structural and macromolecular characterization, without the prior isolation of its individual components. Furthermore, considering the relatively wide solubility and compatibility of ionic liquids with many organic or inorganic functional chemicals or polymers, it is envisaged that this research could create a variety of new strategies for converting abundant woody biomass to valuable biofuels, chemicals, and novel functional composite biomaterials.
• PROCESSES FOR PRODUCING SILK DOPE
  申请人：Commonwealth Scientific and Industrial Research Organisation

  公开号：EP2475677A1

  公开（公告）日：2012-07-18
• PRODUCT PREPARATION AND RECOVERY FROM THERMOLYSIS OF LIGNOCELLULOSICS IN IONIC LIQUIDS
  申请人：Argyropoulos Dimitris

  公开号：US20080185112A1

  公开（公告）日：2008-08-07

  The present invention provides methods for the thermolysis of lignocellulosic materials, such as wood, cellulose, lignin, and lignocellulose. In specific embodiments, the methods comprise combining the lignocellulosic material with an ionic liquid and subjecting the mixture of the lignocellulosic material and the ionic media to pyrolytic conditions to form a recoverable product, such as a commodity chemical.
• POLYMER DERIVATIVES AND COMPOSITES FROM THE DISSOLUTION OF LIGNOCELLULOSICS IN IONIC LIQUIDS
  申请人：Argyropoulos Dimitris

  公开号：US20080188636A1

  公开（公告）日：2008-08-07

  The present invention provides wood derivatives and composite materials prepared by first solvating a lignocellulosic material using an ionic liquid. The solvated lignocellulosic material can be derivatized to incorporate functional groups, particularly groups that facilitate later combination with polymer materials, including non-polymer polymers. The polymeric materials can be combined with the derivatized lignocellulosic material in solution, or the derivatized lignocellulosic material can be isolated and later combined with the polymeric material in a melt. The invention encompasses a variety of wood derivatives, composites, and nanocomposites useful for preparing multiple types of products, including membranes, fibers, and formed parts.