N-(4-Bromophenyl)methanesulfonamide

Base Information

• Chemical Name: N-(4-Bromophenyl)methanesulfonamide
• CAS No.: 4284-50-8
• Molecular Formula: C7H8 Br N O2 S
• Molecular Weight: 250.116
• Hs Code.: 2935009090
• European Community (EC) Number: 625-862-0
• DSSTox Substance ID: DTXSID80351683
• Nikkaji Number: J2.093.393C
• Wikidata: Q82128280
• ChEMBL ID: CHEMBL2137221
• Mol file: 4284-50-8.mol

Synonyms:N-(4-Bromophenyl)methanesulfonamide;4284-50-8;MLS002768302;N-(4-Bromophenyl)-methanesulfonamide;Methanesulfonanilide, 4'-bromo- (6CI,7CI,8CI);4'-Bromomethanesulfonanilide;(4-bromophenyl)(methylsulfonyl)amine;Methanesulfon-4-bromoanilide;TimTec1_002390;SCHEMBL478849;CHEMBL2137221;DTXSID80351683;HMS1540M14;KUC104050N;CS-M2304;N-(4-bromophenyl)methane-sulfonamide;STK416400;AKOS000194418;N-(4-Bromo-phenyl)-methanesulfonamide;AB01521;N-(4-bromo-phenyl)-methane sulfonamide;NCGC00243649-01;BS-22319;N-(4-Bromophenyl)methanesulfonamide,97%;SMR000312517;FT-0650327;EN300-741072;N-(4-BROMOPHENYL)METHANESULFONAMIDE, 97%;SR-01000410282;SR-01000410282-1;BRD-K32990798-001-01-3;Z45620035

Chemical Property of N-(4-Bromophenyl)methanesulfonamide

Chemical Property:

• Vapor Pressure: 0.000141mmHg at 25°C
• Melting Point: 137-141 °C
• Refractive Index: 1.623
• Boiling Point: 333°C at 760 mmHg
• Flash Point: 155.2°C
• PSA: 54.55000
• Density: 1.711g/cm³
• LogP: 2.97440
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 248.94591
• Heavy Atom Count: 12
• Complexity: 226

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-(4-Bromophenyl)methanesulfonamide 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CS(=O)(=O)NC1=CC=C(C=C1)Br

Technology Process of N-(4-Bromophenyl)methanesulfonamide

There total 11 articles about N-(4-Bromophenyl)methanesulfonamide 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%

methanesulfonyl chloride (124-63-0) + 4-bromo-aniline (106-40-1) → N-(4-bromophenyl)methanesulfonamide (4284-50-8)

Guidance literature:

methanesulfonyl chloride; 4-bromo-aniline; With triethylamine; In dichloromethane; at 0 - 20 ℃; for 3.08333h;

With methanol; ammonia; water; In tetrahydrofuran; at 20 ℃; for 16h;

Reference yield: 90.0%

methanesulfonic acid (75-75-2,98527-29-8) + 4-bromo-aniline (106-40-1) → N-(4-bromophenyl)methanesulfonamide (4284-50-8)

Guidance literature:

methanesulfonic acid; With N-chlorobenzotriazole; triphenylphosphine; In dichloromethane; at 0 - 20 ℃; for 0.25h;

4-bromo-aniline; With triethylamine; at 20 ℃; for 1.41667h;

DOI:10.1080/10426507.2015.1024313

Reference yield: 90.0%

4-Bromophenylboronic acid (5467-74-3) + Methanesulfonyl azide (624-90-8,1516-70-7) → N-(4-bromophenyl)methanesulfonamide (4284-50-8)

Guidance literature:

With copper(l) chloride; In methanol; at 20 ℃; for 0.5h;

DOI:10.1021/ol403717

upstream raw materials:

N-phenylmethanesulfonamide

methanesulfonyl chloride

4-bromo-aniline

N-(4-bromophenyl)-N-(methylsulfonyl)methanesulfonamide

Downstream raw materials:

N-(4-Bromo-phenyl)-N-[1,3]dioxolan-2-ylmethyl-methanesulfonamide

N-(4-ethylphenyl)methanesulfonamide

N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide

5-(4-(N-benzylmethylsulfonamido)phenyl)-N,N-dimethyl-1H-pyrazole-1-sulfonamide

Refernces

• 1、 Chaturvedi, Jagriti,Haldar, Chabush,Bisht, Ranjana,Pandey, Gajanan,Chattopadhyay, Buddhadeb. "Meta Selective C-H Borylation of Sterically Biased and Unbiased Substrates Directed by Electrostatic Interaction". supporting information. p. 7604 - 7611. Retrieved 2021/05/26.
• 2、 Huang, Chong,Qian, Xiang-Yang,Xu, Hai-Chao. "Continuous-Flow Electrosynthesis of Benzofused S-Heterocycles by Dehydrogenative C?S Cross-Coupling". supporting information. p. 6650 - 6653. Retrieved 2019/04/26.