1-Cyclohexyl-3-(4-methylphenyl)urea

Base Information

• Chemical Name: 1-Cyclohexyl-3-(4-methylphenyl)urea
• CAS No.: 89609-46-1
• Molecular Formula: C14H20N2O
• Molecular Weight: 232.326
• European Community (EC) Number: 666-787-3
• NSC Number: 131941
• DSSTox Substance ID: DTXSID20299671
• Nikkaji Number: J921.805J
• Wikidata: Q82042173
• Pharos Ligand ID: ASRCK2AB4MXG
• ChEMBL ID: CHEMBL3661382

Synonyms:N-Cyclohexyl-N'-(4-methylphenyl)urea;89609-46-1;1-cyclohexyl-3-(4-methylphenyl)urea;NSC131941;N-p-Toluyl-N'-cyclohexylurea;SCHEMBL813709;1-Cyclohexyl-3-(p-tolyl)urea;CHEMBL3661382;DTXSID20299671;BLRWQLNOZYSUKM-UHFFFAOYSA-N;BDBM129296;AKOS002938967;NSC-131941;N-Cyclohexyl-N'-(4-methylphenyl)urea #;US8815951, 108

Chemical Property of 1-Cyclohexyl-3-(4-methylphenyl)urea

Chemical Property:

• Vapor Pressure: 4.73E-05mmHg at 25°C
• Boiling Point: 349.3°Cat760mmHg
• Flash Point: 125.9°C
• Density: 1.07g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 232.157563266
• Heavy Atom Count: 17
• Complexity: 241

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-Cyclohexyl-3-(4-methylphenyl)urea

There total 8 articles about 1-Cyclohexyl-3-(4-methylphenyl)urea 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: 89.0%

Cyclohexyl isocyanide (931-53-3) + p-toluidine (106-49-0,12221-03-3) → 1-(4-methylphenyl)-3-cyclohexylurea (89609-46-1)

Guidance literature:

With tert.-butylhydroperoxide; tetrabutylammomium bromide; sodium pivalate; cobalt acetylacetonate; In water; acetonitrile; at 75 ℃; for 1h; Sonication;

DOI:10.1002/adsc.201300745

Reference yield: 87.0%

2,2,2-trichloroethyl N-p-tolylcarbamate (37934-96-6) + cyclohexylamine (108-91-8,157973-60-9) → 1-(4-methylphenyl)-3-cyclohexylurea (89609-46-1)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 80 ℃; for 4h;

DOI:10.1002/bkcs.11314

Reference yield: 81.0%

p-toluidine (106-49-0,12221-03-3) + Cyclohexyl isocyanate (3173-53-3) → 1-(4-methylphenyl)-3-cyclohexylurea (89609-46-1)

Guidance literature:

In hexane;

DOI:10.1016/S0968-0896(00)00198-X

upstream raw materials:

cyclohexylamine

p-Tolylisocyanate

p-toluidine

Cyclohexyl isocyanate

Downstream raw materials:

N-cyclohexyl-N'-(p-tolyl)methanediimine

N¹-Cyclohexyl-3--N²-(p-tolyl)propiolamidin

2-Cyclohexylamino-6-methyl-4-chinolin

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