[C12mim]FeCl4 | 1204596-03-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [C12mim]FeCl4
• 英文别名: LAIL4；1-dodecyl-3-methylimidazolium iron chloride；1-Dodecyl-3-methylimidazol-3-ium;tetrachloroiron(1-)
• CAS: 1204596-03-1
• 化学式: C₁₆H₃₁N₂*Cl₄Fe
• 分子量: 449.095
• InChiKey: MKYDXMXNNKWUQU-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  6.99
• 重原子数：
  23
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  8.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-氯十二烷 反应 48.0h， 生成 [C12mim]FeCl4
  参考文献：
  名称：

  Properties and catalytic activity of magnetic and acidic ionic liquids: Experimental and molecular simulation

  摘要：

  The exploitation of dual functional magnetic and acidic ionic liquids (MAILs) for hydrolysis of cellulose to platform chemicals can solve some practical challenges through easy separation of products and efficient catalyst recyclability. In this work, seven C(n)mim/FeCl4 MAILs were synthesized and investigated with combined experimental and molecular dynamics. The MAILS contained FeCl4- anions and exhibited a typical hard magnetic materials behavior with rather strong magnetic susceptibilities. These MAILS were stable up to 250-310 degrees C, the decomposition was started up at 250/310-480-810 degrees C in two steps with the formation of the undecomposed residue. The Gibbs energy for the reaction of glucose/xylose conversion to 5-hydroxymethylfurfural by metal chlorides in the C(n)mimCl ionic liquid was studied using the density functional theory calculations and the results that C(3)mim/WCl3 may be the most hopeful catalyst. The MAILs have the potential to open up promising new catalytic systems because of their easy product separation and efficient catalyst recyclability. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carbpol.2014.01.071
• 作为试剂：
  描述：

  2-氯辛烷 在 [C12mim]FeCl4 、 高碘酸 作用下， 反应 3.0h， 以88%的产率得到仲辛酮
  参考文献：
  名称：

  在离子液体[C 12 mim] [FeCl 4 ]中用H 5 IO 6将有机卤化物高效氧化为醛和酮

  摘要：

  开发了一种简单，温和，有效的方法，用于在离子液体[C 12 mim] [FeCl 4 ]中用H 5 IO 6将有机卤化物氧化为醛和酮。氧化反应以高至高收率提供目标产物，并且未观察到过氧化。可以通过简单的有机溶剂萃取来分离产物，并且催化体系可以循环使用，而不会损失催化活性。

  DOI：

  10.1016/j.catcom.2010.03.017

文献信息

• Tunable LCST-type phase behavior of [FeCl4]--based ionic liquids in water
  作者：Yuanchao Pei、Yuan Cao、Yanjie Huang、Xinxin Song、Huiyong Wang、Yuling Zhao、Jianji Wang

  DOI：10.1007/s11426-016-5577-0

  日期：2016.5

  In this work, 16 kinds of [FeCl4]--based magnetic ionic liquids (ILs) with different cation structures have been designed and synthesized, and their structures are characterized by IR and Raman spectroscopy. Then the lower critical solution temperature (LCST)-type phase behavior of these magnetic ILs in water is investigated as a function of concentration. It is shown that cation structure, alkyl chain length and molar ratio of FeCl3/chloride IL have a significant influence on the LCST of the mixtures. The phase separation temperature can be tuned efficiently by these factors. Meanwhile, the LCST-type phase separation process is also investigated by dynamic light scattering. The results support the mechanism that the hydrogen bonds of the [FeCl4]- anion with water have been gradually disrupted to form ILs aggregates with increasing temperature. In addition, the stability of the ILs in water is also examined in some details. These LCST-type phase separation systems may have potential applications in extraction and separation techniques at room temperature.

  本研究设计并合成了 16 种具有不同阳离子结构的[FeCl4]基磁性离子液体（ILs），并利用红外光谱和拉曼光谱对其结构进行了表征。然后研究了这些磁性离子液体在水中的低临界溶液温度（LCST）型相行为与浓度的函数关系。结果表明，阳离子结构、烷基链长度和 FeCl3/chloride IL 的摩尔比对混合物的 LCST 有显著影响。相分离温度可通过这些因素进行有效调节。同时，还利用动态光散射对 LCST 型相分离过程进行了研究。结果支持[FeCl4]-阴离子与水的氢键随着温度升高而逐渐断裂形成 ILs 聚集体的机理。此外，还详细研究了 ILs 在水中的稳定性。这些 LCST 型相分离系统可能会在室温下的萃取和分离技术中得到潜在应用。
• The synthesis of Fe-containing ionic liquid and its catalytic performance for the dehydration of fructose
  作者：Hui Liu、Yue Wang、Wanxia Ma、Hongwei Wang、Deping Wang、Wei Jiang、Ming Zhang、Cunshan Zhou、Huaming Li

  DOI：10.1007/s11696-017-0148-1

  日期：2017.8

  Four Fe-containing ionic liquids (ILs) were synthesized by coupling of conventional imidazole ionic liquids [Cxmim]Cl (x = 4, 8, 12, 16) with FeCl3 and were characterized by FT-IR, Raman, ESI–MS and TG. All of the Fe-containing ILs were applied to the conversion of fructose into 5-hydroxymethylfurfural (HMF) in 1-butyl-3-methylimidazolium chloride ([Bmim]Cl) subsequently and the result showed that

  通过将常规咪唑离子液体[C x mim] Cl（x  = 4、8、12、16）与FeCl 3偶联，合成了四种含铁离子液体（IL），并用FT-IR，拉曼，ESI– MS和TG。所有的含Fe离子液体是在1-丁基-3-甲基咪唑氯化物施加到果糖转化成5-羟甲基糠醛（HMF）（[BMIM] Cl）的随后，结果表明，[C 16个MIM]的FeCl 4显示出优异的催化性能。然后详细研究了以[C 16 mim] FeCl 4为催化剂的不同反应参数。用0.03 g [C 16 mim] FeCl 4得到HMF的92.8％ 在果糖/ [Bmim] Cl溶液中于80℃下于1.0050 g [Bmim] Cl中加入0.1 g果糖40分钟。
• Bifunctional Ionic Liquid Catalyzed Multicomponent Arylsulfonation of Phenols with Aryl Triazenes and DABSO for the Synthesis of Diaryl Sulfones
  作者：Yonghong Zhang、Chenjiang Liu、Chengzong Tang、Xinlei Zhou、Bin Wang、Weiwei Jin、Yu Xia

  DOI：10.1055/a-1870-9282

  日期：2022.11

  The bifunctional Lewis acidic ionic liquid (LAIL) catalyzed multicomponent arylsulfonation of phenols with aryl triazenes and DABSO was developed. By using LAILs as redox and Lewis acidic catalysts without any additional promoter or ligand through an N2 extrusion/SO2 insertion sequence, various aryl triazenes were transformed into aryl sulfonyl radicals by coupling with DABSO, and these were then coupled

  开发了双功能路易斯酸性离子液体 (LAIL) 催化苯酚与芳基三氮烯和 DABSO 的多组分芳基磺化。通过使用 LAILs 作为氧化还原和路易斯酸性催化剂，无需任何额外的促进剂或配体，通过 N 2挤出/SO 2插入序列，各种芳基三氮烯通过与 DABSO 偶联转化为芳基磺酰基自由基，然后与苯氧基自由基偶联得到相应的二芳基砜以良好的收率。良好的官能团耐受性、克级反应和避免使用 SO 2气体进一步证明了该芳基磺化反应的实用性。
• Properties and catalytic activity of magnetic and acidic ionic liquids: Experimental and molecular simulation
  作者：Cunshan Zhou、Xiaojie Yu、Haile Ma、Xingyi Huang、Henan Zhang、Jian Jin

  DOI：10.1016/j.carbpol.2014.01.071

  日期：2014.5

  The exploitation of dual functional magnetic and acidic ionic liquids (MAILs) for hydrolysis of cellulose to platform chemicals can solve some practical challenges through easy separation of products and efficient catalyst recyclability. In this work, seven C(n)mim/FeCl4 MAILs were synthesized and investigated with combined experimental and molecular dynamics. The MAILS contained FeCl4- anions and exhibited a typical hard magnetic materials behavior with rather strong magnetic susceptibilities. These MAILS were stable up to 250-310 degrees C, the decomposition was started up at 250/310-480-810 degrees C in two steps with the formation of the undecomposed residue. The Gibbs energy for the reaction of glucose/xylose conversion to 5-hydroxymethylfurfural by metal chlorides in the C(n)mimCl ionic liquid was studied using the density functional theory calculations and the results that C(3)mim/WCl3 may be the most hopeful catalyst. The MAILs have the potential to open up promising new catalytic systems because of their easy product separation and efficient catalyst recyclability. (C) 2014 Elsevier Ltd. All rights reserved.