1-(3-Chlorophenyl)-3-cyclohexylurea

Base Information

• Chemical Name: 1-(3-Chlorophenyl)-3-cyclohexylurea
• CAS No.: 72802-45-0
• Molecular Formula: C₁₃H₁₇ClN₂O
• Molecular Weight: 252.744
• Hs Code.: 2924299090
• European Community (EC) Number: 665-669-9
• DSSTox Substance ID: DTXSID50353755
• Wikidata: Q82131523
• Pharos Ligand ID: KNZXW9WAP2PJ
• ChEMBL ID: CHEMBL192293
• Mol file: 72802-45-0.mol

Synonyms:1-(3-chlorophenyl)-3-cyclohexylurea;72802-45-0;N-(3-chlorophenyl)-N'-cyclohexylurea;CHEMBL192293;1-(3-Chloro-phenyl)-3-cyclohexyl-urea;SMR000102236;CBDivE_015961;MLS000105355;REGID_for_CID_751320;SCHEMBL12196175;DTXSID50353755;HMS2404F16;BDBM50167035;STK903181;AKOS002956586;1-(3-chlorophenyl)-3-cyclohexyl-urea;PD178907;US8815951, 44;SR-01000202303;SR-01000202303-1

Chemical Property of 1-(3-Chlorophenyl)-3-cyclohexylurea

Chemical Property:

• PSA: 44.62000
• LogP: 4.07160
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 252.1029409
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

1-(3-CHLOROPHENYL)-3-CYCLOHEXYLUREA Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NC(=O)NC2=CC(=CC=C2)Cl

Technology Process of 1-(3-Chlorophenyl)-3-cyclohexylurea

There total 3 articles about 1-(3-Chlorophenyl)-3-cyclohexylurea 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:

Cyclohexyl isocyanide (931-53-3) → 1-(3-chlorophenyl)-3-cyclohexylurea (72802-45-0)

Guidance literature:

Multi-step reaction with 2 steps

1: dihydrogen peroxide; water; N-iodo-succinimide / 1,4-dioxane / 4 h / 90 °C

2: 1,4-dioxane / 16 h / 90 °C

With N-iodo-succinimide; water; dihydrogen peroxide; In 1,4-dioxane;

DOI:10.1039/c7gc01449j

Reference yield:

(E)-1-phenylethan-1-one O-cyclohexylcarbamoyl oxime + 3-chloro-aniline (108-42-9) → 1-(3-chlorophenyl)-3-cyclohexylurea (72802-45-0)

Guidance literature:

In 1,4-dioxane; at 90 ℃; for 16h;

DOI:10.1039/c7gc01449j

Reference yield:

m-Chlorobenzoyl azide (50625-49-5) + cyclohexylamine (108-91-8,157973-60-9) → 1-(3-chlorophenyl)-3-cyclohexylurea (72802-45-0)

Guidance literature:

With toluene;

upstream raw materials:

m-Chlorobenzoyl azide

cyclohexylamine

Cyclohexyl isocyanide

3-chloro-aniline

Refernces