1,3-Dimethylimidazolium Bis(trifluoromethanesulfonyl)imide

Base Information

• Chemical Name: 1,3-Dimethylimidazolium Bis(trifluoromethanesulfonyl)imide
• CAS No.: 174899-81-1
• Molecular Formula: C5H9N2.C2F6NO4S2
• Molecular Weight: 377.2844792
• European Community (EC) Number: 801-349-9
• Mol file: 174899-81-1.mol

Synonyms:174899-81-1;1,3-Dimethylimidazolium Bis(trifluoromethanesulfonyl)imide;1,3-Dimethylimidazolium bis((trifluoromethyl)sulfonyl)imide;bis(trifluoromethylsulfonyl)azanide;1,3-dimethylimidazol-1-ium;SAYMDKMGIAANGQ-UHFFFAOYSA-N;1,3-Dimethylimidazolium bis(trifluoromethylsulfonyl)imide;ZGA89981;MFCD18251322;AKOS037648933;BS-16060;D5349;1,3-dimethylimidazolium;bistriflylimide anion;D80552;1,3-DimethylimidazoliumBis(trifluoromethanesulfonyl)imide;1-methyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

Chemical Property of 1,3-Dimethylimidazolium Bis(trifluoromethanesulfonyl)imide

Chemical Property:

• Melting Point: 22°C(lit.)
• PSA: 93.85000
• Density: 1.57 g/cm3(Temp: 30 °C)
• LogP: 3.07050
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 2
• Exact Mass: 376.99386710
• Heavy Atom Count: 22
• Complexity: 429

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3-DimethylimidazoliumBis(trifluoromethylsulfonyl)imide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• Uses: 1,3-Dimethylimidazolium Bis(trifluoromethylsulfonyl)imide is an ionic liquid that assists in the transdermal delivery of sparingly soluble drugs.

Technology Process of 1,3-Dimethylimidazolium Bis(trifluoromethanesulfonyl)imide

There total 7 articles about 1,3-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: 99.1%

1,3-dimethylimidazolium sulfate monomethyl ester (97345-90-9) + bis(trifluoromethane)sulfonimide lithium (90076-65-6) → 1-methyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (174899-81-1)

Guidance literature:

In water; at 0 - 20 ℃; for 24h;

DOI:10.1039/c8cc05515g

Reference yield: 96.0%

bis(trifluoromethane)sulfonimide lithium (90076-65-6) + 1-n-butyl-3-methylimidazolium methanesulfonate (342789-81-5) → 1-methyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (174899-81-1)

Guidance literature:

In water; at 20 ℃; for 0.75h;

Reference yield: 90.2%

CH4O4S*C5H10N2 + bis(trifluoromethane)sulfonimide lithium (90076-65-6) → 1-methyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (174899-81-1)

Guidance literature:

In water; at 60 ℃; for 2h;

upstream raw materials:

1-methyl-1H-imidazole

N-methyl bis[(trifluoromethyl)sulfonyl]imide

bis(trifluoromethane)sulfonimide lithium

1-n-butyl-3-methylimidazolium methanesulfonate

Refernces

• 1、 Fujii, Kozo,Mukai, Tomohiro,Nishikawa, Keiko. "Crystal structure of 1,3-dimethylimidazolium bis(fluorosulfonyl)amide: Unexpectedly high melting point arising from polydentate hydrogen bonding". . p. 405 - 407. Retrieved 2014.
• 2、 Zhou, Qian,Fitzgerald, Kendall,Boyle, Paul D.,Henderson, Wesley A.. "Phase behavior and crystalline phases of ionic liquid-lithium salt mixtures with 1-alkyl-3-methylimidazolium salts". . p. 1203 - 1208. Retrieved 2010.
• 3、 Santos, Ana R.,Hanson-Heine, Magnus W. D.,Besley, Nicholas A.,Licence, Peter. "The impact of sulfur functionalisation on nitrogen-based ionic liquid cations". supporting information. p. 11403 - 11406. Retrieved 2018/10/20.