4-bromo-N-cyclohexylbenzenesulfonamide

Base Information

• Chemical Name: 4-bromo-N-cyclohexylbenzenesulfonamide
• CAS No.: 7454-76-4
• Molecular Formula: C12H16BrNO2S
• Molecular Weight: 318.235
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID10355013
• Nikkaji Number: J2.797.807J
• Wikidata: Q82133592
• ChEMBL ID: CHEMBL1540418
• Mol file: 7454-76-4.mol

Synonyms:4-bromo-N-cyclohexylbenzenesulfonamide;7454-76-4;4-Bromo-N-cyclohexylbenzenesulphonamide;N-CYCLOHEXYL 4-BROMOBENZENESULFONAMIDE;KSC-16-128;4-Bromo-N-cyclohexyl-benzenesulfonamide;MLS000104520;N-cyclohexyl-4-bromobenzenesulfonamide;CBMicro_005084;Oprea1_028673;Oprea1_443570;JHICC02066;SCHEMBL2834532;CHEMBL1540418;DTXSID10355013;XATZMSCJHBJRTQ-UHFFFAOYSA-N;HMS2285L04;KUC105937N;SMSF0003336;KUC105937;MFCD00450584;STL168292;AKOS000383601;AB06000;AM87170;CB07125;BS-29302;SMR000054455;BIM-0004888.P001;CS-0206733;F15477;BENZENESULFONAMIDE,4-BROMO-N-CYCLOHEXYL-;A865867;Z45509341

Chemical Property of 4-bromo-N-cyclohexylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 4.72E-07mmHg at 25°C
• Melting Point: 102-104
• Refractive Index: 1.605
• Boiling Point: 413.7 °C at 760 mmHg
• Flash Point: 204 °C
• PSA: 54.55000
• Density: 1.5 g/cm³
• LogP: 4.53180
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 317.00851
• Heavy Atom Count: 17
• Complexity: 325

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-N-cyclohexylbenzenesulfonamide 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)Br

Technology Process of 4-bromo-N-cyclohexylbenzenesulfonamide

There total 6 articles about 4-bromo-N-cyclohexylbenzenesulfonamide 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: 98.0%

cyclohexylamine (108-91-8,157973-60-9) + para-bromobenzenethiol (106-53-6) → 4-bromo-N-cyclohexylbenzenesulfonamide (7454-76-4)

Guidance literature:

para-bromobenzenethiol; With thionyl chloride; dihydrogen peroxide; In water; acetonitrile; at 25 ℃;

cyclohexylamine; With pyridine; In water; acetonitrile; at 25 ℃; for 0.0333333h;

DOI:10.1021/jo901924m

Reference yield: 98.0%

bis(4-bromophenyl)disulfide (5335-84-2) + cyclohexylamine (108-91-8,157973-60-9) → 4-bromo-N-cyclohexylbenzenesulfonamide (7454-76-4)

Guidance literature:

bis(4-bromophenyl)disulfide; With dihydrogen peroxide; zirconium(IV) chloride; In acetonitrile; at 25 ℃;

cyclohexylamine; With pyridine; In acetonitrile; at 25 ℃; for 0.0333333h; chemoselective reaction;

DOI:10.1016/j.tetlet.2010.07.056

Reference yield: 66.0%

4-bromo-benzenesulfonic acid amide (701-34-8) + Cyclohexanecarboxylic acid (98-89-5) → 4-bromo-N-cyclohexylbenzenesulfonamide (7454-76-4)

Guidance literature:

With copper(I) thiophene-2-carboxylate; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(5-methyl-2-(4-fluorophenyl)pyridine(-1H))-iridium(III) hexafluorophosphate; N,N,N′,N′-tetramethyl-N″-tert-butylguanidine; bathophenanthroline; iodomesitylene diacetate; In 1,4-dioxane; at 20 ℃; for 1h; regioselective reaction; Inert atmosphere; Irradiation;

DOI:10.1038/s41586-018-0234-8

upstream raw materials:

cyclohexylamine

4-bromobenzenesulfonyl chloride

para-bromobenzenethiol

bis(4-bromophenyl)disulfide

Downstream raw materials:

C₁₈H₁₉Br₂NO₄S₂

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