N-cyclohexyl-1-phenylmethanesulfonamide

Base Information

• Chemical Name: N-cyclohexyl-1-phenylmethanesulfonamide
• CAS No.: 71491-96-8
• Molecular Formula: C13H19 N O2 S
• Molecular Weight: 253.3605
• NSC Number: 117475
• DSSTox Substance ID: DTXSID70991936
• Wikidata: Q82981905
• Mol file: 71491-96-8.mol

Synonyms:N-cyclohexyl-1-phenylmethanesulfonamide;71491-96-8;NSC117475;TimTec1_002992;Oprea1_496057;Oprea1_720081;SCHEMBL989727;DTXSID70991936;HMS1542H22;STK064740;AKOS003277624;NSC-117475;BRD-K50350212-001-01-5

Chemical Property of N-cyclohexyl-1-phenylmethanesulfonamide

Chemical Property:

• Vapor Pressure: 1.29E-06mmHg at 25°C
• Boiling Point: 400.2°Cat760mmHg
• Flash Point: 195.9°C
• Density: 1.18g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 253.11365002
• Heavy Atom Count: 17
• Complexity: 309

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NS(=O)(=O)CC2=CC=CC=C2

Technology Process of N-cyclohexyl-1-phenylmethanesulfonamide

There total 2 articles about N-cyclohexyl-1-phenylmethanesulfonamide 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: 72.0%

cyclohexylamine (108-91-8,157973-60-9) + phenylmethanethiol (100-53-8) → N-cyclohexyl-1-phenylmethanesulfonamide (71491-96-8)

Guidance literature:

With hydrogenchloride; tetramethylammonium tetrafluoroborate; In water; acetonitrile; at 20 ℃; for 0.166667h; Electrochemical reaction;

DOI:10.1021/jacs.9b02266 DOI:10.1021/jacs.9b02266

Reference yield: 28.0%

sodium α-toluenesulfinate (51793-64-7) + cyclohexylamine (108-91-8,157973-60-9) → N-cyclohexyl-1-phenylmethanesulfonamide (71491-96-8)

Guidance literature:

With tetrabutylammomium bromide; N-ethyl-N,N-diisopropylamine; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; ethanol; for 18h;

DOI:10.1021/acs.orglett.7b01693

upstream raw materials:

sodium α-toluenesulfinate

cyclohexylamine

phenylmethanethiol

Refernces

• 1、 Laudadio, Gabriele,Barmpoutsis, Efstathios,Schotten, Christiane,Struik, Lisa,Govaerts, Sebastian,Browne, Duncan L.,No?l, Timothy. "Sulfonamide Synthesis through Electrochemical Oxidative Coupling of Amines and Thiols". supporting information. p. 5664 - 5668. Retrieved 2019/04/17.