1-(2-Bromophenyl)-3-phenylurea

Base Information

• Chemical Name: 1-(2-Bromophenyl)-3-phenylurea
• CAS No.: 13114-91-5
• Molecular Formula: C13H11BrN2O
• Molecular Weight: 291.147
• European Community (EC) Number: 662-120-5
• DSSTox Substance ID: DTXSID80967127
• Nikkaji Number: J1.926.000C
• Wikidata: Q82949650
• ChEMBL ID: CHEMBL475754
• Mol file: 13114-91-5.mol

Synonyms:1-(2-bromophenyl)-3-phenylurea;5269-25-0;Cambridge id 5269250;MLS001007254;CHEMBL475754;SCHEMBL8746726;LCOWZPIPSUYVOG-UHFFFAOYSA-;DTXSID80967127;HMS1579A01;HMS2734C08;1-(2-bromophenyl)-3-phenyl-urea;STK395484;AKOS000181748;SMR000352520;N-(2-Bromophenyl)-N'-phenylcarbamimidic acid;AB00078319-01;A829342;SR-01000202553;SR-01000202553-1;Z44586389

Chemical Property of 1-(2-Bromophenyl)-3-phenylurea

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 290.00548
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2Br

Technology Process of 1-(2-Bromophenyl)-3-phenylurea

There total 8 articles about 1-(2-Bromophenyl)-3-phenylurea 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: 97.0%

2-bromophenyl isocyanate (1592-00-3) + aniline (62-53-3) → 1-(2-bromophenyl)-3-phenylurea (13114-91-5)

Guidance literature:

DOI:10.1016/S0040-4039(03)01469-2

Reference yield: 92.0%

phenyl isocyanate (103-71-9) + 2-bromoaniline (615-36-1) → 1-(2-bromophenyl)-3-phenylurea (13114-91-5)

Guidance literature:

In dichloromethane; at 20 ℃; for 14h;

DOI:10.1002/ejoc.201900191

Reference yield: 83.0%

1-benzoyl-1H-benzotriazole (4231-62-3) + 2-bromoaniline (615-36-1) → 1-(2-bromophenyl)-3-phenylurea (13114-91-5)

Guidance literature:

With diphenyl phosphoryl azide; triethylamine; In toluene; at 110 ℃; Sealed tube;

DOI:10.1055/a-1399-3823

upstream raw materials:

2-bromo-benzoyl azide

aniline

phenyl isocyanate

2-bromoaniline

Downstream raw materials:

2-(phenylamino)-4H-benzo[d][1,3]oxazin-4-one

2-anilinoquinazolin-4(3H)-one

1-benzyl-1-(2-bromophenyl)-3-phenylurea

1-phenyl-1,3-dihydrobenzoimidazol-2-one