4-bromo-N,3-dimethylbenzenesulfonamide

Base Information

• Chemical Name: 4-bromo-N,3-dimethylbenzenesulfonamide
• CAS No.: 923148-87-2
• Molecular Formula: C8H10BrNO2S
• Molecular Weight: 264.143
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID50429166
• Wikidata: Q82242118
• Mol file: 923148-87-2.mol

Synonyms:4-bromo-N,3-dimethylbenzenesulfonamide;923148-87-2;N-METHYL 4-BROMO-3-METHYLBENZENESULFONAMIDE;4-bromo-N,3-dimethylbenzene-1-sulfonamide;N-methyl-4-bromo-3-methylbenzenesulfonamide;SCHEMBL710212;DTXSID50429166;VKXILHHKRMMVQB-UHFFFAOYSA-N;YLB14887;MFCD08868519;AKOS005140976;BS-24680;4-bromo-3-methyl-N-methyl-benzenesulfonamide;CS-0212249;EN300-67351;A860120;AP-263/43490880;Z45527731

Chemical Property of 4-bromo-N,3-dimethylbenzenesulfonamide

Chemical Property:

• PSA: 54.55000
• LogP: 3.13730
• Storage Temp.: Room temperature.
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 262.96156
• Heavy Atom Count: 13
• Complexity: 260

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-N,3-dimethylbenzenesulfonamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-bromo-N,3-dimethylbenzenesulfonamide

There total 1 articles about 4-bromo-N,3-dimethylbenzenesulfonamide 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: 89.0%

4-bromo-3-methylbenzenesulfonyl chloride (72256-93-0) + methylamine (74-89-5) → 4-bromo-N,3-dimethylbenzenesulfonamide (923148-87-2)

Guidance literature:

With triethylamine; In tetrahydrofuran; dichloromethane; at 0 ℃;

Reference yield: 32.0%

4-bromo-N,3-dimethylbenzenesulfonamide (923148-87-2) + bis(pinacol)diborane (73183-34-3) → N,3-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide (1152274-54-8)

Guidance literature:

With potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In N,N-dimethyl-formamide; at 80 ℃;

Reference yield: 18.0%

4-bromo-N,3-dimethylbenzenesulfonamide (923148-87-2) → (2-methyl-4-(N-methylsulfamoyl)phenyl)boronic acid (1152274-62-8)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; bis(pinacol)diborane; In 1,4-dioxane; at 100 ℃; Schlenk technique; Inert atmosphere;

upstream raw materials:

4-bromo-3-methylbenzenesulfonyl chloride

methylamine

Downstream raw materials:

N,3-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide

4-(5-aminopyrazin-2-yl)-N,3-dimethylbenzenesulfonamide

(2-methyl-4-(N-methylsulfamoyl)phenyl)boronic acid