2-bromo-N-phenylbenzenesulfonamide

Base Information

• Chemical Name: 2-bromo-N-phenylbenzenesulfonamide
• CAS No.: 683739-37-9
• Molecular Formula: C12H10BrNO2S
• Molecular Weight: 312.187
• DSSTox Substance ID: DTXSID60397509
• Nikkaji Number: J3.406.927A
• Wikidata: Q82198927
• ChEMBL ID: CHEMBL4776426
• Mol file: 683739-37-9.mol

Synonyms:2-bromo-N-phenylbenzenesulfonamide;683739-37-9;N-phenylbromo-benzenesulfonamide;2-bromo-N-phenylbenzene-1-sulfonamide;starbld0032925;SCHEMBL2741008;CHEMBL4776426;DTXSID60397509;AWKNJYBNCAEKMZ-UHFFFAOYSA-N;N-Phenyl-2-bromobenzenesulfonamide;MFCD12515262;AKOS005908604

Chemical Property of 2-bromo-N-phenylbenzenesulfonamide

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 310.96156
• Heavy Atom Count: 17
• Complexity: 333

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2Br

Technology Process of 2-bromo-N-phenylbenzenesulfonamide

There total 4 articles about 2-bromo-N-phenylbenzenesulfonamide 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: 100.0%

o-bromobenzenesulfonyl chloride (2905-25-1) + aniline (62-53-3) → 2-bromo-N-phenylbenzenesulfonamide (683739-37-9)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1071/CH13270

Reference yield: 98.0%

bromobenzene-2-sulfonic acid (576-92-1) + aniline (62-53-3) → 2-bromo-N-phenylbenzenesulfonamide (683739-37-9)

Guidance literature:

With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; at 80 ℃; for 4h; Temperature;

Reference yield: 72.0%

nitrobenzene (98-95-3,26969-40-4) + (2-bromophenyl)boronic acid (244205-40-1) → 2-bromo-N-phenylbenzenesulfonamide (683739-37-9)

Guidance literature:

With potassium pyrosulfite; tetrabutyl-ammonium chloride; potassium carbonate; In acetonitrile; at 130 ℃; for 24h; Sealed tube;

DOI:10.1021/acs.orglett.0c00183

upstream raw materials:

o-bromobenzenesulfonyl chloride

aniline

nitrobenzene

(2-bromophenyl)boronic acid

Downstream raw materials:

N-phenyl-2-bromo-N-ethylbenzenesulfonamide

N-phenylsaccharin

N-phenylbenzenesulfonamide

2-iodo-N-phenylbenzene-1-sulfonamide