4-Methyl-N-(3-nitrophenyl)benzenesulfonamide

Base Information

• Chemical Name: 4-Methyl-N-(3-nitrophenyl)benzenesulfonamide
• CAS No.: 1576-38-1
• Molecular Formula: C13H12 N2 O4 S
• Molecular Weight: 292.315
• NSC Number: 86602
• DSSTox Substance ID: DTXSID10935738
• Nikkaji Number: J1.425.176F
• Wikidata: Q82911821
• ChEMBL ID: CHEMBL181270
• Mol file: 1576-38-1.mol

Synonyms:1576-38-1;4-Methyl-N-(3-nitrophenyl)benzenesulfonamide;m-Nitro-N-tosylaniline;4-Methyl-N-(3-nitro-phenyl)-benzenesulfonamide;NSC86602;CBMicro_047712;Cambridge id 5173961;NCIOpen2_004838;CHEMBL181270;DTXSID10935738;NSC-86602;STK864439;AKOS000346476;N-(3-Nitrophenyl)-p-toluenesulfonamide;BIM-0047953.P001;CS-0328637;4-Methyl-N-(3-nitrophenyl)benzene-1-sulfonamide;4-Methyl-N-(3-nitrophenyl)benzenesulfonamide #;Z45631666;F0885-0071

Chemical Property of 4-Methyl-N-(3-nitrophenyl)benzenesulfonamide

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 292.05177804
• Heavy Atom Count: 20
• Complexity: 432

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Technology Process of 4-Methyl-N-(3-nitrophenyl)benzenesulfonamide

There total 3 articles about 4-Methyl-N-(3-nitrophenyl)benzenesulfonamide 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%

dibromamine-T (21849-40-1) + m-nitrobenzene boronic acid (13331-27-6) → m-nitro-N-tosylaniline (1576-38-1)

Guidance literature:

With copper(l) iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In ethanol; at 20 ℃; for 0.25h;

DOI:10.1016/j.tetlet.2017.11.033

Reference yield: 63.0%

m-iodonitrobenzene (645-00-1) + toluene-4-sulfonamide (70-55-3) → m-nitro-N-tosylaniline (1576-38-1)

Guidance literature:

With copper(l) iodide; caesium carbonate; In N,N-dimethyl-formamide; at 135 ℃; for 24h;

DOI:10.1055/s-0030-1259925

Reference yield:

→ m-nitro-N-tosylaniline (1576-38-1)

Guidance literature:

Toluol-4-sulfonsaeure-chlorid u. 3-Nitro-anilin in wss. Na-Acetat-Lsg.;

upstream raw materials:

m-iodonitrobenzene

toluene-4-sulfonamide

dibromamine-T

m-nitrobenzene boronic acid

Downstream raw materials:

N-(3-aminophenyl)-4-methylbenzenesulfonamide

m-nitro-N-methyl-N-tosylaniline

N-isopropyl-m-nitroaniline

toluene-4-sulfonic acid

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