N,N-dimethyl-1-phenylmethanesulfonamide

Base Information

• Chemical Name: N,N-dimethyl-1-phenylmethanesulfonamide
• CAS No.: 14894-42-9
• Molecular Formula: C9H13 N O2 S
• Molecular Weight: 199.274
• NSC Number: 174595
• DSSTox Substance ID: DTXSID20306197
• Nikkaji Number: J2.615.920B
• Wikidata: Q82053166

Synonyms:14894-42-9;N,N-dimethyl-1-phenylmethanesulfonamide;NSC174595;SCHEMBL3174757;DTXSID20306197;AKOS003859490;NSC-174595;N,N-DIMETHYL(PHENYL)METHANESULFONAMIDE

Chemical Property of N,N-dimethyl-1-phenylmethanesulfonamide

Chemical Property:

• Vapor Pressure: 0.000488mmHg at 25°C
• Boiling Point: 313.7°C at 760 mmHg
• Flash Point: 143.5°C
• Density: 1.192g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.06669983
• Heavy Atom Count: 13
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)S(=O)(=O)CC1=CC=CC=C1

Technology Process of N,N-dimethyl-1-phenylmethanesulfonamide

There total 10 articles about N,N-dimethyl-1-phenylmethanesulfonamide 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: 92.0%

bromobenzene (108-86-1,52753-63-6) + N,N-dimethylmethanesulfonamide (918-05-8) → Phenylmethanesulfonic acid N,N-dimethylamide (14894-42-9)

Guidance literature:

N,N-dimethylmethanesulfonamide; With zinc(II) chloride; lithium hexamethyldisilazane; In tetrahydrofuran; at -20 - 20 ℃; for 1h; Inert atmosphere;

bromobenzene; With palladium diacetate; XPhos; In tetrahydrofuran; at 20 - 65 ℃; Inert atmosphere;

DOI:10.1021/ol800785g

Reference yield: 78.0%

N,N-dimethylmethanesulfonamide (918-05-8) + chlorobenzene (108-90-7) → Phenylmethanesulfonic acid N,N-dimethylamide (14894-42-9)

Guidance literature:

With N-(dicyclohexylphosphino)-2-(2'-methylphenyl)-1H-indole; [Pd{κ²N2′,C1-2-(2′-NH₂C₆H₄)C₆H₄}(μ-Cl)]₂; lithium tert-butoxide; In toluene; at 110 ℃; for 24h; chemoselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1002/adsc.201600090

Reference yield: 69.0%

dimethyl amine (124-40-3) + benzenesulfonyl chloride (1939-99-7) → Phenylmethanesulfonic acid N,N-dimethylamide (14894-42-9)

Guidance literature:

In tetrahydrofuran;

DOI:10.1021/ol048249z

upstream raw materials:

dimethyl amine

benzenesulfonyl chloride

bis-(dimethylamino)methane

1,3-Bis--3-phenyl-propen-(1)

Downstream raw materials:

3-morpholin-4-yl-1-phenyl-propane-1-sulfonic acid dimethylamide

N,N-Dimethyl-C-phenyl-C-trimethylsilanyl-methanesulfonamide

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

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

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