N,N-Dimethylethanesulfonamide

Base Information

• Chemical Name: N,N-Dimethylethanesulfonamide
• CAS No.: 6338-68-7
• Molecular Formula: C4H11 N O2 S
• Molecular Weight: 137.203
• Hs Code.: 2935009090
• European Community (EC) Number: 228-729-1
• NSC Number: 40788
• UNII: XK3JWE7VJY
• DSSTox Substance ID: DTXSID40212786
• Nikkaji Number: J206.941E
• Wikidata: Q83087987
• Mol file: 6338-68-7.mol

Synonyms:N,N-Dimethylethanesulfonamide;6338-68-7;N,N-Dimethylethanesulphonamide;NN-Dimethylethanesulfonamide;N,N-dimethylethane-1-sulfonamide;Ethanesulfonamide, N,N-dimethyl-;N,N-Dimethylethansulfonamide;N,N-dimethyl-ethanesulfonamide;EINECS 228-729-1;NSC-40788;NSC40788;XK3JWE7VJY;SCHEMBL1098560;DTXSID40212786;C4-H11-N-O2-S;MFCD00043617;NSC 40788;AKOS003857897;FT-0676002;F71552

Chemical Property of N,N-Dimethylethanesulfonamide

Chemical Property:

• Vapor Pressure: 0.656mmHg at 25°C
• Boiling Point: 186.7°C at 760 mmHg
• Flash Point: 66.7°C
• PSA: 45.76000
• Density: 1.116g/cm³
• LogP: 0.97850
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 137.05104977
• Heavy Atom Count: 8
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

NN-Dimethylethanesulfonamide ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCS(=O)(=O)N(C)C

Technology Process of N,N-Dimethylethanesulfonamide

There total 2 articles about N,N-Dimethylethanesulfonamide 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: 76.0%

dimethyl amine (124-40-3) + Ethanesulfonyl chloride (594-44-5) → Ethanesulfonic acid N,N-dimethylamide (6338-68-7)

Guidance literature:

With triethylamine; In dichloromethane; at -20 ℃; for 6h;

DOI:10.1039/c8cc01643g

Reference yield:

dimethyl amine (124-40-3) + Ethanesulfonyl chloride (594-44-5) → Ethanesulfonic acid N,N-dimethylamide (6338-68-7) + N,N-Dimethyl-1-(ethylsulfonyl)ethansulfonamid (126788-69-0)

Guidance literature:

With Quinuclidine; Yield given. Multistep reaction; 1) acetonitrile, -40 deg C, 2) 12 h;

Reference yield: 87.0%

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + Ethanesulfonic acid N,N-dimethylamide (6338-68-7) → N, N-dimethyl-1-oxo-1-phenylpropane-2-sulfonamide

Guidance literature:

Ethanesulfonic acid N,N-dimethylamide; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Cooling;

benzoic acid methyl ester; In tetrahydrofuran; hexane; at 20 ℃; for 16h;

DOI:10.1039/c8cc01643g

upstream raw materials:

dimethyl amine

Ethanesulfonyl chloride

Downstream raw materials:

1-<1-Hydroxy-4-t-butyl-cyclohexyl>-ethanesulfonic acid N,N-dimethylamide

1-<1-Hydroxy-4-t-butyl-cyclohexyl>-ethanesulfonic acid N,N-dimethylamide

C₁₄H₃₀N₂O₃S₂

C₁₄H₃₀N₂O₃S₂