3-Bromo-N-isopropylbenzenesulfonamide

Base Information

• Chemical Name: 3-Bromo-N-isopropylbenzenesulfonamide
• CAS No.: 871269-08-8
• Molecular Formula: C9H12BrNO2S
• Molecular Weight: 278.17
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID10428433
• Wikidata: Q82241263
• Mol file: 871269-08-8.mol

Synonyms:871269-08-8;3-Bromo-N-isopropylbenzenesulfonamide;N-Isopropyl 3-bromobenzenesulfonamide;3-bromo-N-propan-2-ylbenzenesulfonamide;3-Bromo-N-isopropylbenzenesulphonamide;Benzenesulfonamide,3-bromo-N-(1-methylethyl)-;SCHEMBL265556;DTXSID10428433;N-Isopropyl3-bromobenzenesulfonamide;WJB26908;MFCD07363820;AKOS008939118;AB30834;BS-25862;CS-0456742;F80024;A862816;3-BROMO-N-(PROPAN-2-YL)BENZENE-1-SULFONAMIDE

Chemical Property of 3-Bromo-N-isopropylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 2.44E-05mmHg at 25°C
• Melting Point: 52-56 °C
• Refractive Index: 1.554
• Boiling Point: 359.1 °C at 760 mmHg
• Flash Point: 171 °C
• PSA: 54.55000
• Density: 1.467g/cm³
• LogP: 3.60750
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 276.97721
• Heavy Atom Count: 14
• Complexity: 271

Purity/Quality:

98%min ^*data from raw suppliers

3-Bromo-N-isopropylbenzenesulfonamide 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Bromo-N-isopropylbenzenesulfonamide

There total 1 articles about 3-Bromo-N-isopropylbenzenesulfonamide 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:

3-Bromobenzenesulfonyl chloride (2905-24-0) + isopropylamine (75-31-0) → 3-bromo-N-(1-methylethyl)benzenesulfonamide (871269-08-8)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/jm801016j

Reference yield: 29.0%

3-bromo-N-(1-methylethyl)benzenesulfonamide (871269-08-8) + 5-methyl-N2-(4-(4-methylpiperazin-1-yl)phenyl)pyrimidine-2,4-diamine (936092-52-3) → 5-methyl-N4-(3-[N-(1-methylethyl)sulfamoyl]phenyl)-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine

Guidance literature:

With caesium carbonate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; N,N-dimethyl-formamide; at 160 ℃; for 0.333333h; Microwave irradiation;

Reference yield:

2-chloropyrimidin-4-amine (7461-50-9) + 3-bromo-N-(1-methylethyl)benzenesulfonamide (871269-08-8) → C13H15ClN4O2S

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 100 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.molstruc.2021.132200

upstream raw materials:

3-Bromobenzenesulfonyl chloride

isopropylamine

Downstream raw materials:

3-[4-({6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexyl}oxy)but-1-ynyl]-N-isopropylbenzenesulfonamide

Refernces