N-(4-(5-Bromo-2-pyrimidinyloxy)-3-chlorophenyl)-N'-(2-nitrobenzoyl)urea

Base Information

Chemical Name:N-(4-(5-Bromo-2-pyrimidinyloxy)-3-chlorophenyl)-N'-(2-nitrobenzoyl)urea
CAS No.:105128-93-6
Molecular Formula:C18H11 Br Cl N5 O5
Molecular Weight:492.67
Hs Code.:2933599090
NSC Number:624548
DSSTox Substance ID:DTXSID20146979
Nikkaji Number:J362.729B
Wikidata:Q83011875
ChEMBL ID:CHEMBL1998062
Mol file:105128-93-6.mol

Synonyms:HO 221;HO-221;N-(4-(5-bromo-2-pyrimidinyloxy)-3-chlorophenyl)-N'-(2-nitrobenzoyl)urea

Suppliers and Price of N-(4-(5-Bromo-2-pyrimidinyloxy)-3-chlorophenyl)-N'-(2-nitrobenzoyl)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

American Custom Chemicals Corporation
N-(4-(5-BROMO-2-PYRIMIDINYLOXY)-3-CHLOROPHENYL)-N'-(2-NITROBENZOYL)UREA 95.00%
5MG
$ 499.00

Total 2 raw suppliers

Chemical Property of N-(4-(5-Bromo-2-pyrimidinyloxy)-3-chlorophenyl)-N'-(2-nitrobenzoyl)urea

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：146.01000
Density:1.712g/cm³
LogP:5.66650
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:490.96321
Heavy Atom Count:30
Complexity:631

Purity/Quality:

98% ^*data from raw suppliers

N-(4-(5-BROMO-2-PYRIMIDINYLOXY)-3-CHLOROPHENYL)-N'-(2-NITROBENZOYL)UREA 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)Cl)[N+](=O)[O-]

Technology Process of N-(4-(5-Bromo-2-pyrimidinyloxy)-3-chlorophenyl)-N'-(2-nitrobenzoyl)urea

There total 2 articles about N-(4-(5-Bromo-2-pyrimidinyloxy)-3-chlorophenyl)-N'-(2-nitrobenzoyl)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: 85.0%

: 5843-48-1
2-Nitrobenzoyl isocyanate

: 105128-95-8
4-(5-Bromo-2-pyrimidinyloxy)-3-chloroaniline

: 105128-93-6
N-[4-(5-bromo-2-pyrimidinyloxy)-3-chlorophenyl]-N'-(2-nitrobenzoyl)-urea

Guidance literature:: In 1,4-dioxane; for 9h; Ambient temperature;
DOI:10.1248/cpb.39.2308

Reference yield:

: 3964-52-1
2-chloro 4-aminophenol

: 105128-93-6
N-[4-(5-bromo-2-pyrimidinyloxy)-3-chlorophenyl]-N'-(2-nitrobenzoyl)-urea

Guidance literature:: Multi-step reaction with 2 steps

1: 62 percent / K₂CO₃ / dimethylsulfoxide / 1.5 h / 120 °C

2: 85 percent / dioxane / 9 h / Ambient temperature

With potassium carbonate; In 1,4-dioxane; dimethyl sulfoxide;
DOI:10.1248/cpb.39.2308