1-(3-N,N-dimethylaminopropyl)-3-methylimidazolium bis(trifluoromethanesulfonyl)imide | 1376707-92-4

• 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-(3-N,N-dimethylaminopropyl)-3-methylimidazolium bis(trifluoromethanesulfonyl)imide
• CAS: 1376707-92-4
• 化学式: C₂F₆NO₄S₂*C₉H₁₈N₃
• 分子量: 448.411
• InChiKey: AYNYDTBNPOLOQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.32
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  94.43
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-(3-N,N-dimethylaminopropyl)-3-methylimidazolium bis(trifluoromethanesulfonyl)imide 、 四丁基三氟甲磺酸铵 以 二氯甲烷 为溶剂， 以15.21 g的产率得到1-methyl-3-(3'-dimethylaminopropyl)imidazolium trifluoromethanesulfonate
  参考文献：
  名称：

  用光电子能谱监测液相有机反应

  摘要：

  有附加的条件：将反应基团连接到离子液体的头基上以大大降低反应物的蒸气压后，可以通过原位X射线光电子能谱监测普通的液相有机反应。对于烷基胺和烷基氯部分的亲核取代，证明了该方法，所述烷基胺和烷基氯部分分别连接至离子液体的阳离子和阴离子。

  DOI：

  10.1002/anie.201107402
• 作为产物：
  描述：

  3-[(3-dimethylamino)propyl]-1-methyl-1H-imidazolium chloride hydrochloride 、 bis(trifluoromethane)sulfonimide lithium 在 lithium hydroxide 作用下， 以 水 为溶剂， 反应 1.0h， 以25.23 g的产率得到1-(3-N,N-dimethylaminopropyl)-3-methylimidazolium bis(trifluoromethanesulfonyl)imide
  参考文献：
  名称：

  用光电子能谱监测液相有机反应

  摘要：

  有附加的条件：将反应基团连接到离子液体的头基上以大大降低反应物的蒸气压后，可以通过原位X射线光电子能谱监测普通的液相有机反应。对于烷基胺和烷基氯部分的亲核取代，证明了该方法，所述烷基胺和烷基氯部分分别连接至离子液体的阳离子和阴离子。

  DOI：

  10.1002/anie.201107402

文献信息

• Isoamyl acetate synthesis in imidazolium-based ionic liquids using packed bed enzyme microreactor
  作者：Marina Cvjetko、Jasna Vorkapić-Furač、Polona Žnidaršič-Plazl

  DOI：10.1016/j.procbio.2012.04.028

  日期：2012.9

  The acylation of isoamyl alcohol with acetic anhydride catalyzed by immobilized Candida antarctica lipase B was studied in ionic liquids (ILs) based on quaternary imidazolium cations with alkyl, alkenyl, alkynyl, benzyl, alkoxyl or N-aminopropyl side chains. Among the tested ILs, the highest enzyme activity together with the highest isoamyl acetate yield were obtained in [C(7)mmim][Tf2N].No loss of lipase B activity was observed during one-month incubation in this hydrophobic IL without the presence of substrates. Isoamyl acetate synthesis using [C(7)mmim][Tf2N] as solvent was further studied in a continuously operated miniaturized enzymatic packed bed reactor at various flow rates and temperatures. Up to 92% isoamyl acetate yield could be obtained within 15 min by using 0.5 M acetic anhydride and 1.5 M isoamyl alcohol inlet concentrations at 55 degrees C, corresponding to the volumetric productivity of 61 mmol l(-1) min(-1), which to the best of our knowledge is the highest reported so far for this reaction. No decrease in productivity was experienced during the subsequent runs of continuous microbioreactor operation performed within 14 consecutive days. The benefits of reactor miniaturization along with the green solvent application were therefore successfully exploited for the development of a sustainable flavour ester production. (C) 2012 Elsevier Ltd. All rights reserved.