7-Acetamido-4-(3-bromoanilino)-6-nitroquinazoline

Base Information

Chemical Name:7-Acetamido-4-(3-bromoanilino)-6-nitroquinazoline
CAS No.:169205-91-8
Molecular Formula:C16H12BrN5O3
Molecular Weight:402.207
Hs Code.:
DSSTox Substance ID:DTXSID00416147
Wikidata:Q82225321
Pharos Ligand ID:JRM7LBMUUUUD
ChEMBL ID:CHEMBL93734
Mol file:169205-91-8.mol

Synonyms:169205-91-8;7-acetamido-4-(3-bromoanilino)-6-nitroquinazoline;CHEMBL93734;N-(4-((3-Bromophenyl)amino)-6-nitroquinazolin-7-yl)acetamide;N-{4-[(3-bromophenyl)amino]-6-nitroquinazolin-7-yl}acetamide;BDBM3551;SCHEMBL7216285;DTXSID00416147;DZUKQELTOOTLPR-UHFFFAOYSA-N;FT-0740697

Suppliers and Price of 7-Acetamido-4-(3-bromoanilino)-6-nitroquinazoline

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 1 raw suppliers

Chemical Property of 7-Acetamido-4-(3-bromoanilino)-6-nitroquinazoline

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:401.01235
Heavy Atom Count:25
Complexity:503

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)NC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

Technology Process of 7-Acetamido-4-(3-bromoanilino)-6-nitroquinazoline

There total 5 articles about 7-Acetamido-4-(3-bromoanilino)-6-nitroquinazoline 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: 81.0%

: 108-24-7
acetic anhydride

: 169205-92-9
7-amino-4-<(3-bromophenyl)amino>-6-nitroquinazoline

: 169205-91-8
7-acetamido-4-<(3-bromophenyl)amino>-6-nitroquinazoline

Guidance literature:: With acetic acid; for 12h; Heating;
DOI:10.1021/jm950692f

Reference yield: 45.0%

: 169205-90-7
7-acetamido-6-nitroquinazolin-4(3H)-one

: 591-19-5
m-Bromoaniline

: 7-Acetamido-4-(3-bromoanilinol-6-nitroquinazoline

: 169205-91-8
7-acetamido-4-<(3-bromophenyl)amino>-6-nitroquinazoline

Guidance literature:: In dichloromethane; isopropyl alcohol; trichlorophosphate;

Reference yield:

: 174709-17-2
4-[(3-bromophenyl)amino]-7-fluoro-6-nitro-quinazoline

: 169205-91-8
7-acetamido-4-<(3-bromophenyl)amino>-6-nitroquinazoline

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / NH₃ (gas) / propan-2-ol / 8 h / 100 °C

2: 81 percent / AcOH / 12 h / Heating

With ammonia; acetic acid; In isopropyl alcohol;
DOI:10.1021/jm950692f