1-(3-Bromo-4-cyano-2-hydroxyphenyl)-3-(2-bromophenyl)urea

Base Information

Chemical Name:1-(3-Bromo-4-cyano-2-hydroxyphenyl)-3-(2-bromophenyl)urea
CAS No.:468064-37-1
Molecular Formula:C14H9Br2N3O2
Molecular Weight:
Hs Code.:
DSSTox Substance ID:DTXSID50433288
Wikidata:Q82247414
Pharos Ligand ID:MC8M53T3U9GA
ChEMBL ID:CHEMBL28009
Mol file:468064-37-1.mol

Synonyms:468064-37-1;1-(3-Bromo-4-cyano-2-hydroxyphenyl)-3-(2-bromophenyl)urea;CHEMBL28009;SCHEMBL6550053;DTXSID50433288;BDBM50140791;PD119618;FT-0719761;1-(3-Bromo-4-cyano-2-hydroxy-phenyl)-3-(2-bromo-phenyl)-urea

Suppliers and Price of 1-(3-Bromo-4-cyano-2-hydroxyphenyl)-3-(2-bromophenyl)urea

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 1-(3-Bromo-4-cyano-2-hydroxyphenyl)-3-(2-bromophenyl)urea

Chemical Property:

Vapor Pressure:0mmHg at 25°C
XLogP3:3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:410.90410
Heavy Atom Count:21
Complexity:426

Purity/Quality:: 99% ，98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)NC(=O)NC2=C(C(=C(C=C2)C#N)Br)O)Br

Technology Process of 1-(3-Bromo-4-cyano-2-hydroxyphenyl)-3-(2-bromophenyl)urea

There total 5 articles about 1-(3-Bromo-4-cyano-2-hydroxyphenyl)-3-(2-bromophenyl)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: 32.0%

: 1592-00-3
2-bromophenyl isocyanate

: 676124-40-6
3-bromo-4-cyano-2-hydroxyaniline

: 468064-37-1
N-(2-Hydroxy-3-bromo-4-cyanophenyl)-N'-(2-bromophenyl)urea

Guidance literature:: In N,N-dimethyl-formamide; at 25 ℃; for 14h;
DOI:10.1021/jm034248l

Reference yield:

: 18495-15-3
3-hydroxy-4-nitrobenzonitrile

: 468064-37-1
N-(2-Hydroxy-3-bromo-4-cyanophenyl)-N'-(2-bromophenyl)urea

Guidance literature:: Multi-step reaction with 3 steps

1: 30 percent / hexamethylene tetramine; hydrogen tribromide / CH₂Cl₂ / 72 h / 25 °C

2: 85 percent / SnCl₂; ethanol / 16 h / 20 °C

3: 32 percent / dimethylformamide / 14 h / 25 °C

With hydrogene tribromide; ethanol; hexamethylenetetramine; tin(ll) chloride; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm034248l

Reference yield:

: 873-62-1
m-cyanophenol

: 468064-37-1
N-(2-Hydroxy-3-bromo-4-cyanophenyl)-N'-(2-bromophenyl)urea

Guidance literature:: Multi-step reaction with 4 steps

1: 22 percent / sodium nitrate; aq. sulfuric acid; NaNO₂ / CH₂Cl₂ / 16 h / 25 °C

2: 30 percent / hexamethylene tetramine; hydrogen tribromide / CH₂Cl₂ / 72 h / 25 °C

3: 85 percent / SnCl₂; ethanol / 16 h / 20 °C

4: 32 percent / dimethylformamide / 14 h / 25 °C

With sodium nitrate; hydrogene tribromide; ethanol; hexamethylenetetramine; sulfuric acid; tin(ll) chloride; sodium nitrite; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm034248l