2-bromo-N-ethylbenzenesulfonamide

Base Information

• Chemical Name: 2-bromo-N-ethylbenzenesulfonamide
• CAS No.: 169189-80-4
• Molecular Formula: C8H10BrNO2S
• Molecular Weight: 264.143
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID40585881
• Nikkaji Number: J2.417.788B
• Wikidata: Q82477891
• Mol file: 169189-80-4.mol

Synonyms:2-bromo-N-ethylbenzenesulfonamide;169189-80-4;2-Bromo-N-ethylbenzenesulphonamide;2-Bromo-N-ethylbenzene-1-sulfonamide;Benzenesulfonamide, 2-bromo-N-ethyl-;SCHEMBL4529161;DTXSID40585881;PAMGXYQVJKXRMX-UHFFFAOYSA-N;2-bromo-N-ethyl-benzenesulfonamide;MFCD08873247;AKOS006034583;BS-21715;CS-0205452;F80167;EN300-1452805;A811059;Z45528416

Chemical Property of 2-bromo-N-ethylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.564
• Boiling Point: 353.183 °C at 760 mmHg
• Flash Point: 167.4 °C
• PSA: 54.55000
• Density: 1.529 g/cm³
• LogP: 3.21900
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 262.96156
• Heavy Atom Count: 13
• Complexity: 247

Purity/Quality:

95-99% ^*data from raw suppliers

2-Bromo-N-ethylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNS(=O)(=O)C1=CC=CC=C1Br

Technology Process of 2-bromo-N-ethylbenzenesulfonamide

There total 1 articles about 2-bromo-N-ethylbenzenesulfonamide 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: 99.0%

o-bromobenzenesulfonyl chloride (2905-25-1) + ethylamine (75-04-7,85404-22-4) → N-ethyl-2-bromobenzenesulfonamide (169189-80-4)

Guidance literature:

In ethanol; for 2h; Reflux;

DOI:10.1055/s-0035-1561288

Reference yield: 98.0%

N-ethyl-2-bromobenzenesulfonamide (169189-80-4) + propargyl bromide (106-96-7) → 2-bromo-N-ethyl-N-(prop-2-ynyl)benzenesulfonamide (1269616-19-4)

Guidance literature:

With potassium carbonate; sodium iodide; In butanone; for 4h; Reflux;

DOI:10.1055/s-0035-1561288

Reference yield: 89.0%

N-ethyl-2-bromobenzenesulfonamide (169189-80-4) + 1-Heptyne (628-71-7) → N-ethyl-2-hept-1-ynyl-benzenesulfonamide (929205-81-2)

Guidance literature:

With triethylamine; triphenylphosphine; palladium on activated charcoal; copper(l) iodide; In acetonitrile; at 80 ℃; for 8h;

DOI:10.1016/j.tet.2006.12.040

upstream raw materials:

o-bromobenzenesulfonyl chloride

ethylamine

Downstream raw materials:

N-ethyl-2-hept-1-ynyl-benzenesulfonamide

2-bromo-N-ethyl-N-(prop-2-ynyl)benzenesulfonamide

Refernces

• 1、 -. "FLAP MODULATORS". Paragraph 0249. . Retrieved 2015/11/03.
• 2、 Ohta, Yusuke,Chiba, Hiroaki,Oishi, Shinya,Fujii, Nobutaka,Ohno, Hiroaki. "Construction of nitrogen heterocycles bearing an aminomethyl group by copper-catalyzed domino three-component coupling-cyclization". supporting information; experimental part. p. 7052 - 7058. Retrieved 2009/12/06.