N,N-diethyl-trifluoromethanesulfonamide

Base Information

• Chemical Name: N,N-diethyl-trifluoromethanesulfonamide
• CAS No.: 357-39-1
• Molecular Formula: C₅H₁₀F₃NO₂S
• Molecular Weight: 205.201
• DSSTox Substance ID: DTXSID701044478
• Nikkaji Number: J3.194.946G
• Mol file: 357-39-1.mol

Synonyms:357-39-1;N,N-diethyl-trifluoromethanesulfonamide;N,N-diethyl-1,1,1-trifluoromethanesulfonamide;SCHEMBL10180979;DTXSID701044478;AKOS013916242;N,N-Diethyltrifluoromethanesulf onamide;N,N-Diethyl Trifluoromethane sulfonamide;G55622;EN300-7822965;N,N-diethyl-1,1,1-trifluoro-methanesulfonamide;Methanesulfonamide, N,N-diethyl-1,1,1-trifluoro-

Chemical Property of N,N-diethyl-trifluoromethanesulfonamide

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 205.03843422
• Heavy Atom Count: 12
• Complexity: 224

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)S(=O)(=O)C(F)(F)F

Technology Process of N,N-diethyl-trifluoromethanesulfonamide

There total 3 articles about N,N-diethyl-trifluoromethanesulfonamide 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: 83.0%

Trifluoromethanesulfonyl fluoride (335-05-7) + diethylamine (109-89-7) → N,N-diethyl-1,1,1-trifluoromethanesulfonamide (357-39-1) + diethylamine monohydrofluoride (25479-04-3)

Guidance literature:

20°C,12 h;

Reference yield: 55.0%

O-trifluoromethanesulfonyl-N,N,N',N'-tetrabutyluronium triflate + diethylamine (109-89-7) → N,N-diethyl-1,1,1-trifluoromethanesulfonamide (357-39-1) + N,N,N',N'-Tetrabutylurea (4559-86-8) + diethylammonium trifluoromethanesulfonate (60933-18-8)

Guidance literature:

In chloroform; at 4 ℃; for 72h;

DOI:10.1002/ejoc.200700303

Reference yield:

C7H15F3NO2S(1+)*CF3O3S(1-) → trifluoromethanesulfonic acid ethyl ester (425-75-2) + N,N-diethyl-1,1,1-trifluoromethanesulfonamide (357-39-1)

Guidance literature:

'; decomposition above 0 deg C;

DOI:10.1016/0040-4039(96)01930-2

upstream raw materials:

diethylamine

Trifluoromethanesulfonyl fluoride