1-Butyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide

Base Information

• Chemical Name: 1-Butyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide
• CAS No.: 350493-08-2
• Deprecated CAS: 1001206-47-8
• Molecular Formula: C11H17F6N3O4S2
• Molecular Weight: 433.396
• Hs Code.: 2935 90 90
• European Community (EC) Number: 700-236-0
• DSSTox Substance ID: DTXSID7047930
• ChEMBL ID: CHEMBL3186992
• Mol file: 350493-08-2.mol

Synonyms:350493-08-2;1-Butyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide;1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide;3-Butyl-1,2-dimethyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide;DTXSID7047930;bis((trifluoromethyl)sulfonyl)imide;bis(trifluoromethylsulfonyl)azanide;1-butyl-2,3-dimethylimidazol-3-ium;MFCD10566879;1-BUTYL-2,3-DIMETHYLIMIDAZOLIUM BIS((TRIFLUOROMETHYL)SULFONYL)IMIDE;[bdmim][ntf2];SCHEMBL925262;CHEMBL3186992;DTXCID3027906;UCCKRVYTJPMHRO-UHFFFAOYSA-N;Tox21_200607;AKOS037643199;NCGC00248760-01;NCGC00258161-01;AS-10287;B3159;CAS-350493-08-2;CS-0186797;T70809;1-n-butyl-2,3-dimethylimidazolium bistrifluoromethylsulfonylamide;3-Butyl-1,2-dimethyl-1H-imidazol-3-iumbis((trifluoromethyl)sulfonyl)amide;1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide, >=99%, H2O <500 ppm;1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide, H2O <500 ppm

Chemical Property of 1-Butyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide

Chemical Property:

• Melting Point: -13 °C
• Refractive Index: 1.4330-1.4370
• PSA: 93.85000
• Density: 1.423
• LogP: 4.64200
• Storage Temp.: Store below +30°C.
• Water Solubility.: Insoluble in water
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 433.05646735
• Heavy Atom Count: 26
• Complexity: 488

Purity/Quality:

98% ^*data from raw suppliers

1-Butyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• Uses: Ionic liquids (ILs) are molten salts with melting points lower than 100 °C. They usually consist of pair of organic cation and anion. ILs exhibit unique properties such as non-volatility, high thermal stability, and high ionic conductivity and find applications as electrolytes in lithium/sodium ion batteries and dye-sensitized solar cells. They are also used as media for synthesis of conducting polymers and intercalation electrode materials.

Technology Process of 1-Butyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide

There total 8 articles about 1-Butyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

bis(trifluoromethane)sulfonimide lithium (90076-65-6) + 1-butyl-2,3-dimethylimidazolium bromide → 1-butyl-2,3-dimethylimidazolium bis-(trifluoromethanesulfonyl)amide (350493-08-2)

Guidance literature:

In water; at 20 ℃; for 12h;

DOI:10.1016/j.tetlet.2005.06.153

Reference yield: 90.0%

3-butyl-1,2-dimethylimidazolium chloride (98892-75-2) → 1-butyl-2,3-dimethylimidazolium bis-(trifluoromethanesulfonyl)amide (350493-08-2)

Guidance literature:

With bis(trifluoromethane)sulfonimide lithium; In water; at 20 ℃; for 72h;

Reference yield: 89.0%

bis(trifluoromethane)sulfonimide lithium (90076-65-6) + 3-butyl-1,2-dimethylimidazolium chloride (98892-75-2) → 1-butyl-2,3-dimethylimidazolium bis-(trifluoromethanesulfonyl)amide (350493-08-2)

Guidance literature:

In dichloromethane; for 48h;

DOI:10.1021/jo8005864

upstream raw materials:

bis(trifluoromethane)sulfonimide lithium

3-butyl-1,2-dimethylimidazolium chloride

1-butyl-3-methylimidazolium trifluoromethanesulfonimide

methyl iodide

Downstream raw materials:

1-butyl-2,3-dimethylimidazolium 2,4,6-trinitrophenolate

Refernces

• 1、 Gilbert, Alyssa,Bucher, G?tz,Haines, Ronald S.,Harper, Jason B.. "Correlating ionic liquid solvent effects with solvent parameters for a reaction that proceeds through a xanthylium intermediate". supporting information. p. 9336 - 9342. Retrieved 2019/11/13.
• 2、 Yue, Shuwen,Roveda, John D.,Mittenthal, Max S.,Shannon, Matthew S.,Bara, Jason E.. "Experimental Densities and Calculated Fractional Free Volumes of Ionic Liquids with Tri- and Tetra-substituted Imidazolium Cations". . p. 2522 - 2532. Retrieved 2018/07/25.