N-Cyclohexylbenzamide

Base Information

• Chemical Name: N-Cyclohexylbenzamide
• CAS No.: 1759-68-8
• Molecular Formula: C13H17NO
• Molecular Weight: 203.284
• European Community (EC) Number: 843-044-3
• NSC Number: 4632
• UNII: Q3GK2CZL0R
• DSSTox Substance ID: DTXSID70170042
• Nikkaji Number: J495.955H
• Wikidata: Q15628307
• Mol file: 1759-68-8.mol

Synonyms:N-Cyclohexylbenzamide;1759-68-8;N-Benzoylcyclohexylamine;Hexamethylenebenzamide;BENZAMIDE, N-CYCLOHEXYL-;N-cyclohexyl-benzamide;P-401;NSC 4632;UNII-Q3GK2CZL0R;Q3GK2CZL0R;BRN 1873469;AI3-01429;NSC-4632;4-12-00-00043 (Beilstein Handbook Reference);NSC4632;MLS006027070;SCHEMBL307051;N-HEXAMETHYLENEBENZAMIDE;DTXSID70170042;BAA75968;STL253079;AKOS002259322;AS-77733;LS-26254;SMR001495922;D85671;EN300-138387;1',2',3',4',5',6'-HEXAHYDROBENZANILIDE;Q15628307;Z31484290

Chemical Property of N-Cyclohexylbenzamide

Chemical Property:

• Vapor Pressure: 2.84E-06mmHg at 25°C
• Melting Point: 146-147 °C
• Boiling Point: 389.5°Cat760mmHg
• PKA: 14.59±0.20(Predicted)
• Flash Point: 233.5°C
• PSA: 29.10000
• Density: 1.06g/cm³
• LogP: 3.14000
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 203.131014166
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

97% ^*data from raw suppliers

N-cyclohexylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of N-Cyclohexylbenzamide

There total 275 articles about N-Cyclohexylbenzamide 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: 85.0%

Cyclohexyl-carbamic acid 1-(3,5-dimethoxy-phenyl)-2-oxo-2-phenyl-ethyl ester (169309-12-0) → 5,7-Dimethoxy-2-phenylbenzofuran (34911-33-6) + N-benzoylcyclohexylamine (1759-68-8) + cyclohexylamine (108-91-8,157973-60-9) + 1,3-Dicyclohexylurea (2387-23-7)

Guidance literature:

In acetonitrile; for 2h; Further byproducts given; Irradiation;

DOI:10.1039/c39950000923

Reference yield: 82.0%

phenyl benzyl ketone (451-40-1) + cyclohexylamine (108-91-8,157973-60-9) → N-benzoylcyclohexylamine (1759-68-8) + benzaldehyde (100-52-7)

Guidance literature:

With 1,10-Phenanthroline; copper(II) chloride dihydrate; oxygen; In acetonitrile; for 24h; under 760.051 Torr; Reflux;

DOI:10.1021/acs.joc.5b01670

Reference yield: 78.0%

benzyl bromide (100-39-0) + cyclohexylamine (108-91-8,157973-60-9) + benzoic acid anhydride (93-97-0) → N-benzoylcyclohexylamine (1759-68-8) + benzoic acid benzyl ester (120-51-4)

Guidance literature:

cyclohexylamine; With tert-butylammonium hexafluorophosphate(V); In acetonitrile; at 20 ℃; Electrolysis; Green chemistry;

benzoic acid anhydride; In acetonitrile; at 20 ℃; for 2h; Electrolysis; Green chemistry;

benzyl bromide; In acetonitrile; at 20 ℃; for 2h; Green chemistry;

DOI:10.1039/c9gc00707e

upstream raw materials:

(E)-cyclohexyl(phenyl)methanone oxime

benzoic acid methyl ester

cyclohexylamine

Perbenzoic acid

Downstream raw materials:

N-benzylcyclohexylamine

N-cyclohexyl-N-nitroso-benzamide

N-cyclohexylbenzimidoyl chloride

Ethyl-N-cyclohexylbenzimidat