1-(4-Chlorophenyl)-3-(p-tolyl)urea

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-3-(p-tolyl)urea
• CAS No.: 3815-63-2
• Molecular Formula: C14H13ClN2O
• Molecular Weight: 260.723
• Hs Code.: 2924299090
• European Community (EC) Number: 653-474-1
• DSSTox Substance ID: DTXSID90352626
• Wikidata: Q82129875
• ChEMBL ID: CHEMBL1688036
• Mol file: 3815-63-2.mol

Synonyms:1-(4-chlorophenyl)-3-(4-methylphenyl)urea;1-(4-Chlorophenyl)-3-(p-tolyl)urea;3815-63-2;ST040385;Cambridge id 5191794;SCHEMBL3026575;CHEMBL1688036;DTXSID90352626;STK051964;AKOS000485890;N-(4-methylphenyl)-N'-(4-chloro-phenyl)urea;SR-01000198171;SR-01000198171-1

Chemical Property of 1-(4-Chlorophenyl)-3-(p-tolyl)urea

Chemical Property:

• PSA: 41.13000
• LogP: 4.43840
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 260.0716407
• Heavy Atom Count: 18
• Complexity: 269

Purity/Quality:

95% ^*data from raw suppliers

N-(4-chlorophenyl)-N'-(4-methylphenyl)urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)Cl

Technology Process of 1-(4-Chlorophenyl)-3-(p-tolyl)urea

There total 11 articles about 1-(4-Chlorophenyl)-3-(p-tolyl)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%

p-toluidine (106-49-0,12221-03-3) + para-chlorobenzoic acid (74-11-3) → 3-(4-chlorophenyl)-1-(4-tolyl)urea (3815-63-2)

Guidance literature:

With diphenyl phosphoryl azide; triethylamine; In toluene; at 100 ℃; for 0.0166667h; Temperature; Solvent; Microwave irradiation;

DOI:10.1021/acs.joc.6b02521

Reference yield: 75.0%

4-tolyl iodide (624-31-7) + 4-chloro-aniline (106-47-8) + chromium(0) hexacarbonyl (199620-14-9,13007-92-6) → 3-(4-chlorophenyl)-1-(4-tolyl)urea (3815-63-2)

Guidance literature:

With sodium azide; palladium diacetate; potassium carbonate; triphenylphosphine; In toluene; at 100 ℃; for 24h;

DOI:10.1002/ejoc.201901273

Reference yield: 7.0%

3-(4-chlorophenyl)-1-(4-tolyl)-1-nitrosourea (84784-24-7) → 4-Methylbiphenyl (644-08-6) + 3-(4-chlorophenyl)-1-(4-tolyl)urea (3815-63-2) + toluene (108-88-3,15644-74-3,16713-13-6) + N,N'-bis(4-chlorophenyl)urea (1219-99-4)

Guidance literature:

In benzene; for 1h; Heating;

DOI:10.1248/cpb.30.3466

upstream raw materials:

4-chlorobenzoyl azide

p-toluidine

4-chloro-aniline

p-Tolylisocyanate

Downstream raw materials:

C₁₄H₁₂ClN₃O₂

3-(4-chlorophenyl)-1-(4-tolyl)-1-nitrosourea

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