N-Cyclohexyl-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N-Cyclohexyl-4-methylbenzenesulfonamide
• CAS No.: 80-30-8
• Molecular Formula: C13H19NO2S
• Molecular Weight: 253.365
• Hs Code.: 2935009090
• European Community (EC) Number: 201-268-3
• NSC Number: 48143,14856
• UNII: 0QPV1AE9EM
• DSSTox Substance ID: DTXSID1024885
• Nikkaji Number: J47.565C
• Wikidata: Q27237113
• ChEMBL ID: CHEMBL1371652
• Mol file: 80-30-8.mol

Synonyms:80-30-8;N-Cyclohexyl-p-toluenesulfonamide;N-CYCLOHEXYL-4-METHYLBENZENESULFONAMIDE;Santicizer 1H;p-Toluenesulfonamide, N-cyclohexyl-;Benzenesulfonamide, N-cyclohexyl-4-methyl-;N-Cyclohexyltoluene-4-sulphonamide;(Tosylamino)cyclohexane;CCRIS 6008;N-cyclohexyl-4-methyl-benzenesulfonamide;AI3-15119;EINECS 201-268-3;UNII-0QPV1AE9EM;NSC 14856;0QPV1AE9EM;BRN 2698317;N-Cyclohexyl-4-methyl benzenesulfonamide;MLS002152910;DTXSID1024885;N-Cyclo Hexyl P-Toluene Sulphonamide;NSC-14856;SMR001224514;NSC14856;N-Tosylcyclohexylamine;N-CYCLOHEXYL P-TOLUENESULFONYLAMINE;N-cyclohexyl-4-methylbenzene-1-sulfonamide;cid_6633;Oprea1_175608;Oprea1_267555;SCHEMBL128274;DTXCID404885;N-cyclohexyltoluen-4-sulfonamid;CHEMBL1371652;n-cyclohexyl p-toluenesulfonamide;BDBM74248;N-Cyclohexyl-4-toluenesulfonamide;HMS3039A07;N-p-Toluenesulphonylcyclohexylamine;NSC48143;4-Toluenesulfonamide, N-cyclohexyl-;Tox21_200091;MFCD00014285;NSC-48143;STL137409;AKOS000384083;LS-1793;CAS-80-30-8;NCGC00091891-01;NCGC00091891-02;NCGC00257645-01;AS-64100;A9949;C2032;CS-0187582;FT-0631357;10.14272/DKYVVNLWACXMDW-UHFFFAOYSA-N;E76128;Benzenesulfonamide, N-cyclohexyl-4-methyl- (9CI);doi:10.14272/DKYVVNLWACXMDW-UHFFFAOYSA-N;W-104240;p-Toluenesulfonamide, N-cyclohexyl- (6CI,7CI,8CI);Q27237113;Z45509354

Chemical Property of N-Cyclohexyl-4-methylbenzenesulfonamide

Chemical Property:

• Appearance/Colour: white or yellowish solid
• Vapor Pressure: 3.58E-06mmHg at 25°C
• Melting Point: 84-85 °C
• Refractive Index: 1.564
• Boiling Point: 386.3 °C at 760 mmHg
• PKA: 12.05±0.20(Predicted)
• Flash Point: 187.4 °C
• PSA: 54.55000
• Density: 1.18 g/cm³
• LogP: 4.07770
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: <0.1 g/100 mL at 21℃
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 253.11365002
• Heavy Atom Count: 17
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

N-Cyclohexyl-p-toluenesulfonamide >99.0%(HPLC)(N) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2

Technology Process of N-Cyclohexyl-4-methylbenzenesulfonamide

There total 50 articles about N-Cyclohexyl-4-methylbenzenesulfonamide 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%

cyclohexylamine (108-91-8,157973-60-9) + p-toluenesulfonyl chloride (98-59-9) → N-cyclohexyl-p-toluenesulfonamide (80-30-8)

Guidance literature:

In dichloromethane; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1039/c9ob00947g

Reference yield: 98.0%

cyclohexylamine (108-91-8,157973-60-9) + para-thiocresol (106-45-6) → N-cyclohexyl-p-toluenesulfonamide (80-30-8)

Guidance literature:

para-thiocresol; 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: 97.0%

toluene-4-sulfonamide (70-55-3) + cyclohexene (110-83-8) → N-cyclohexyl-p-toluenesulfonamide (80-30-8)

Guidance literature:

With silver hexafluoroantimonate; Xantphos[AuCl]₂; In 1,2-dichloro-ethane; at 85 ℃; for 4h; Reagent/catalyst; Solvent; Inert atmosphere; Sealed tube;

DOI:10.1002/ejoc.201402068

upstream raw materials:

cyclohexylamine

p-toluenesulfonyl chloride

2-(phenylselanyl)-N-tosylcyclohexanamine

p-toluene sulfinic acid

Downstream raw materials:

N-ethyl-N-cyclohexyl-toluene-4-sulfonamide

N-cyclohexyl-N-decyl-p-toluenesulfonamide

Diazocyclohexane

cis-3a,4,5,6,7,7a-hexahydro-2-methyl-1-<(4-methylphenyl)sulfonyl>indole

Refernces

• 1、 Tong, Zixuan,Garry, Olivia L.,Smith, Philip J.,Jiang, Yubo,Mansfield, Steven J.,Anderson, Edward A.. "Au(I)-Catalyzed Oxidative Functionalization of Yndiamides". supporting information. p. 4888 - 4892. Retrieved 2021/06/28.
• 2、 Amarouch, Benedikt,G?bgen, Kai C.,Hoffmann, Alexander,Oster, Matthias,Sch?n, Florian,Steden, Dominik,Thomas, Fabian. "A new generation of terminal copper nitrenes and their application in aromatic C-H amination reactions". supporting information. p. 6444 - 6462. Retrieved 2021/05/26.