N-(2-methyl-4-nitrophenyl)methanesulfonamide

Base Information

• Chemical Name: N-(2-methyl-4-nitrophenyl)methanesulfonamide
• CAS No.: 57165-00-1
• Molecular Formula: C8H10N2O4S
• Molecular Weight: 230.244
• European Community (EC) Number: 666-249-8
• DSSTox Substance ID: DTXSID90389391
• Wikidata: Q82185148
• Mol file: 57165-00-1.mol

Synonyms:N-(2-methyl-4-nitrophenyl)methanesulfonamide;57165-00-1;2'-METHYL-4'-NITROMETHANESULFONANILIDE;Oprea1_762293;SCHEMBL10658813;DTXSID90389391;STK007017;AKOS000671018;SR-01000314443;SR-01000314443-1

Chemical Property of N-(2-methyl-4-nitrophenyl)methanesulfonamide

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 230.03612798
• Heavy Atom Count: 15
• Complexity: 330

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C

Technology Process of N-(2-methyl-4-nitrophenyl)methanesulfonamide

There total 1 articles about N-(2-methyl-4-nitrophenyl)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) + 2-methyl-4-nitro-benzenamine (99-52-5) → 2-methyl-4-nitro-N-methanesulphonyl aniline (57165-00-1)

Guidance literature:

In pyridine; at 28 ℃; for 5h;

DOI:10.1016/S0040-4020(01)88179-5

Reference yield:

2-methyl-4-nitro-N-methanesulphonyl aniline (57165-00-1) → 4-amino-2-methyl-N-methanesulphonyl aniline (57165-01-2)

Guidance literature:

With hydrogen; nickel; In methanol; under 760 Torr;

DOI:10.1016/S0040-4020(01)88179-5

Reference yield:

2-methyl-4-nitro-N-methanesulphonyl aniline (57165-00-1) → N-[4-[(E)-Methanesulfonylimino]-3-methyl-cyclohexa-2,5-dien-(E)-ylidene]-2,2-dimethyl-propionamide (108792-13-8)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / Raney nickel / methanol / 760 Torr

2: N,N-dimethylaniline / acetonitrile / 16 h / 28 °C

3: lead tetraacetate / CH₂Cl₂ / 4 h / 15 °C

With lead(IV) acetate; hydrogen; N,N-dimethyl-aniline; nickel; In methanol; dichloromethane; acetonitrile;

DOI:10.1016/S0040-4020(01)88179-5

upstream raw materials:

methanesulfonyl chloride

2-methyl-4-nitro-benzenamine

Downstream raw materials:

N-(2-Methyl-4-nitro-phenyl)-N-(1,1,2,2-tetrachloro-2-fluoro-ethylsulfanyl)-methanesulfonamide

4-amino-2-methyl-N-methanesulphonyl aniline

2-methyl-4-pivalamido-N-methanesulphonyl aniline

N-[4-[(E)-Methanesulfonylimino]-3-methyl-cyclohexa-2,5-dien-(E)-ylidene]-2,2-dimethyl-propionamide