n,n-Bis(2-chloroethyl)methanesulfonamide

Base Information

• Chemical Name: n,n-Bis(2-chloroethyl)methanesulfonamide
• CAS No.: 54533-09-4
• Molecular Formula: C5H11 Cl2 N O2 S
• Molecular Weight: 220.12
• NSC Number: 56656
• DSSTox Substance ID: DTXSID50969759
• Mol file: 54533-09-4.mol

Synonyms:n,n-bis(2-chloroethyl)methanesulfonamide;54533-09-4;NSC56656;SCHEMBL995245;DTXSID50969759;HLUTZVACYWYJKO-UHFFFAOYSA-N;NSC-56656;AKOS017554711;N,N-bis(2-chloroethyl)methanesulphonamide;N,N-bis(2-chloroethyl)methane-sulphonamide;N,N-bis-(2-chloroethyl)methanesulfonamide;FT-0736136

Chemical Property of n,n-Bis(2-chloroethyl)methanesulfonamide

Chemical Property:

• Vapor Pressure: 0.000854mmHg at 25°C
• Boiling Point: 304.8°Cat760mmHg
• Flash Point: 138.1°C
• Density: 1.357g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 218.9887552
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)N(CCCl)CCCl

Technology Process of n,n-Bis(2-chloroethyl)methanesulfonamide

There total 1 articles about n,n-Bis(2-chloroethyl)methanesulfonamide 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:

methanesulfonyl chloride (124-63-0) + N,N-bis(chloro-2-ethyl)amine (334-22-5) → N,N-bis(2-chloroethyl)methanesulfonamide (54533-09-4)

Guidance literature:

With sodium carbonate; acetone;

Reference yield: 64.0%

N,N-bis(2-chloroethyl)methanesulfonamide (54533-09-4) + 4-(2,2,2,-trifluoroethoxy)aniline (57946-61-9) → 1-(methylsulfonyl)-4-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine (622386-15-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In butan-1-ol; at 110 ℃; for 18h;

Reference yield:

N,N-bis(2-chloroethyl)methanesulfonamide (54533-09-4) + [6-amino-5-(2,2-difluoroethoxy)-1H-indol-2-yl]-{5-amino-1-[6-(2,6-difluorophenoxy)-4-methylpyridin-3-yl]pyrazol-4-yl}methanone → [5-amino-1-[6-(2,6-difluorophenoxy)-4-methylpyridin-3-yl]pyrazol-4-yl]-[5-(2,2-difluoroethoxy)-6-(4-methylsulfonylpiperazin-1-yl)-1H-indol-2-yl]methanone

Guidance literature:

With potassium carbonate; sodium iodide; In 1-methyl-pyrrolidin-2-one; at 100 ℃; for 8.5h;

upstream raw materials:

methanesulfonyl chloride

N,N-bis(chloro-2-ethyl)amine

Downstream raw materials:

1-(methylsulfonyl)-4-methylpiperazine

1-(methylsulfonyl)-4-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine

Methylsulfonsaeure-

methyl (S)-2-(4-methanesulphonylpiperazin-1-yl)-3-[4-(pyridin-4-ylmethoxy)benzoylamino]propanoate