1-乙基-3-甲基咪唑鎓碳酸氢盐 | 947601-94-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-乙基-3-甲基咪唑鎓碳酸氢盐
• 中文别名: 1-乙基-3-甲基咪唑碳酸氢盐；4-[(苯甲酰-5-羰基吡咯烷-2-基)羰基]吗啉
• 英文名称: 1-ethyl-3-methylimidazolium hydrogen carbonate
• 英文别名: 1-ethyl-3-methyl-1H-imidazol-3-ium hydrogencarbonate；EMIMHC；ethyl based methyl imidazolium hydrogen carbonate；[C2mim][HCO3]；1-ethyl-3-methylimidazolium cation monomethyl carbonate；1-Ethyl-3-methylimidazol-3-ium;hydron;carbonate；1-ethyl-3-methylimidazol-3-ium;hydron;carbonate
• CAS: 947601-94-7
• 化学式: CHO₃*C₆H₁₁N₂
• 分子量: 172.184
• InChiKey: ULMGNXSIBNEBFL-UHFFFAOYSA-M

物化性质

• 闪点：
  57 °C

计算性质

• 辛醇/水分配系数(LogP)：
  -2.0
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  69.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn
• 海关编码：
  2933290090
• 危险品运输编号：
  UN 1987 3/PG 3

反应信息

• 作为反应物：
  描述：

  1-乙基-3-甲基咪唑鎓碳酸氢盐 、 维生素 C 以 甲醇 为溶剂， 反应 24.0h， 以88%的产率得到3-ethyl-1-methyl-1H-imidazol-3-ium ascorbate
  参考文献：
  名称：

  Ascorbic Acid Based Ionic Liquids: Recyclable and Efficient Catalytic Systems for the Huisgen Cycloaddition

  摘要：

  A new method for the Huisgen cycloaddition using an ascorbic acid based ionic liquid and a copper catalyst in an ionic liquid, under microwave irradiation, is described. The reaction times are short and a simple procedure for separation of the products is established. Good conversions are obtained and the ionic liquid based catalytic system can be recycled.

  DOI：

  10.1055/s-0033-1338975
• 作为产物：
  描述：

  1-ethyl-3-methylimidazolium-2-carboxylate 在 水 作用下， 以 氘代甲醇 为溶剂， 生成 1-乙基-3-甲基咪唑鎓碳酸氢盐
  参考文献：
  名称：

  A Solventless Route to 1-Ethyl-3-methylimidazolium Fluoride Hydrofluoride, [C₂mim][F]·xHF

  摘要：

  The ionic liquid 1-ethyl-3-methylimidazolium fluoride hydrofluoride, [C(2)mim] [F].xHF, has been synthesized through a new, solventless route that excludes halogen metathesis. The byproducts are salts, alcohols, and carbon dioxide.

  DOI：

  10.1021/jo800578b

文献信息

• Demonstration of Chemisorption of Carbon Dioxide in 1,3-Dialkylimidazolium Acetate Ionic Liquids
  作者：Gabriela Gurau、Héctor Rodríguez、Steven P. Kelley、Peter Janiczek、Roland S. Kalb、Robin D. Rogers

  DOI：10.1002/anie.201105198

  日期：2011.12.9

  Real chemistry: Spectroscopic and crystallographic analyses confirm the chemical reaction of CO2 with carbene present in 1,3‐dialkylimidazolium acetate ionic liquids and the supporting role of the acetate ion. When CO2 was bubbled through [C2mim][OAc], formation of the corresponding imidazolium carboxylate, [C2mim+‐COO−], could be observed.

  实际化学：光谱和晶体学分析证实了乙酸1，3-二烷基咪唑鎓离子液体中存在的卡宾与CO 2的化学反应以及乙酸根离子的支持作用。当CO 2通过[C鼓泡2个MIM] [OAC]，在形成对应的咪唑鎓羧酸盐的，[C 2 MIM + -COO - ]，可以观察到。
• Metal-free imidazolium hydrogen carbonate ionic liquids as bifunctional catalysts for the one-pot synthesis of cyclic carbonates from olefins and CO₂
  作者：Jia Liu、Guoqiang Yang、Ying Liu、Dongsheng Wu、Xingbang Hu、Zhibing Zhang

  DOI：10.1039/c9gc01088b

  日期：——

  A direct route for the synthesis of cyclic carbonates from olefins and CO2 has been achieved by using imidazolium hydrogen carbonate ionic liquids ([CnCmIm][HCO3]) as bifunctional catalysts in the absence of a solvent. [CnCmIm][HCO3] can convert into a carbene–CO2 adduct spontaneously. The HCO3− anion and carbene–CO2 can serve as catalysts for olefin epoxidation and CO2 cycloaddition, respectively

  通过在不存在溶剂的情况下使用咪唑鎓碳酸氢盐离子液体（[C n C m Im] [HCO 3 ]）作为双官能催化剂，已经实现了由烯烃和CO 2合成环状碳酸酯的直接途径。[C n C m Im] [HCO 3 ]可自发转化为卡宾-CO 2加合物。的HCO 3 -阴离子和卡宾-CO 2可以用作催化剂的烯烃环氧化和CO 2环加成，分别明显简化了环状碳酸酯的合成。在温和条件下，反应进行得很好。这种廉价而简单的方法可以以良好或优异的环状碳酸酯收率应用于各种烯烃。该催化剂可以容易地循环至少四次，而不会明显丧失其催化活性。
• Imidazolium Hydrogen Carbonates versus Imidazolium Carboxylates as Organic Precatalysts for N-Heterocyclic Carbene Catalyzed Reactions
  作者：Maréva Fèvre、Paul Coupillaud、Karinne Miqueu、Jean-Marc Sotiropoulos、Joan Vignolle、Daniel Taton

  DOI：10.1021/jo301597h

  日期：2012.11.16

  substituents. In solution, NHC generation from both [NHC(H)][HCO3] salts and NHC–CO2 adducts could be achieved at room temperature, most likely by a simple solvation effect. Both types of precursors proved efficient for organocatalyzed molecular reactions, including cyanosilylation, benzoin condensation, and transesterification reactions. The catalytic efficiencies of NHC–CO2 adducts 3 were found to be

  咪唑-2-羧酸盐（NHC–CO 2加合物，3）和（苯并）咪唑碳酸氢盐（[NHC（H）] [HCO 3 ]，4）分别用作各种分子N-杂环卡宾（NHC）的有机预催化剂）催化反应。NHC–CO 2加合物是通过在THF中羧化相关的游离NHCs（2）而获得的，而[NHC（H）] [HCO 3 ]前体的合成是通过使用碳酸氢钾对咪唑鎓卤化物（1）进行阴离子复分解而直接实现的。（KHCO 3）溶于甲醇溶液中，而无需事先制备游离的卡宾。大多数[NHC（H）] [HCO 3 ]前体4的热重分析（TGA）和TGA与质谱（TGA-MS）结合显示出阶段性的降解，同时或逐步释放出H 2 O和CO 2介于108到280°C之间，具体取决于偶氮鎓和取代基的性质。在溶液中，[NHC（H）] [HCO 3 ]盐和NHC–CO 2均可生成NHC加合物可以在室温下获得，很可能是通过简单的溶剂化作用实现的。两种类型的前体都证明对有
• COMPOUND HAVING HEPTAMETHINE STRUCTURE, SENSITIZING DYE AND PHOTOELECTRIC CONVERSION ELEMENT
  申请人：Gifu University

  公开号：EP2684872A1

  公开（公告）日：2014-01-15

  Provided is a compound having a heptamethine structure represented by the following general formula (1) used as a sensitizing dye for a photoelectric conversion device, and a photoelectric conversion device using the compound as a sensitizing dye, which may solve the problems of the related art. In the general formula (1), R1 and R2 each represent a hydrogen atom, an alkyl group or an aryl group; R3 to R6 each represent an alkyl group having from 1 to 18 carbon atoms; X represents a halogen atom; Y represents a monovalent anion; Z represents an alkyl group, an alkoxy group or an aryl group when R3 to R6 each have from 1 to 5 carbon atoms, or a hydrogen atom, an alkyl group, an alkoxy group or an aryl group when R3 to R6 each have from 6 to 18 carbon atoms; and m and n each represent an integer of from 1 to 12.

  提供的是一种具有七甲基结构的化合物，其通式如下（1），用作光电转换装置的敏化染料，以及使用该化合物作为敏化染料的光电转换装置，可以解决相关技术中的问题。在通式（1）中，R1和R2分别代表氢原子、烷基或芳基；R3至R6每个代表具有1到18个碳原子的烷基；X代表卤素原子；Y代表一价阴离子；当R3至R6每个具有1到5个碳原子时，Z代表烷基、烷氧基或芳基；当R3至R6每个具有6到18个碳原子时，Z代表氢原子、烷基、烷氧基或芳基；m和n各代表1到12的整数。
• [EN] ESLICARBAZEPINE ACETATE AND ITS POLYMORPHS<br/>[FR] ACÉTATE D'ESLICARBAZÉPINE ET SES POLYMORPHES
  申请人：REDDYS LAB LTD DR

  公开号：WO2011091131A2

  公开（公告）日：2011-07-28

  Processes for the preparation of eslicarbazepine acetate and intermediates thereof. Also provided are polymorphic forms of eslicarbazepine acetate and methods for their preparation.

  制备艾司卡巴嗪乙酸酯及其中间体的过程。还提供了艾司卡巴嗪乙酸酯的多态形式及其制备方法。