6-Bromoquinazolin-4-amine

Base Information

• Chemical Name: 6-Bromoquinazolin-4-amine
• CAS No.: 21419-48-7
• Molecular Formula: C8H6BrN3
• Molecular Weight: 224.06
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10352547
• Nikkaji Number: J2.974.754G
• Wikidata: Q82129754
• ChEMBL ID: CHEMBL4515714
• Mol file: 21419-48-7.mol

Synonyms:6-bromoquinazolin-4-amine;21419-48-7;4-AMINO-6-BROMOQUINAZOLINE;4-Quinazolinamine, 6-bromo-;6-BROMO-QUINAZOLIN-4-YLAMINE;MFCD02228849;6-Bromoquinazoline-4-amine;6-Bromoquinazolin-4-ylamine;F3097-0791;SCHEMBL2508850;CHEMBL4515714;DTXSID10352547;AM847;AKOS002304645;CS-W018924;FS-3538;6-bromo-quinazolin-4-ylamine, AldrichCPR;SY031993;BB 0222334;FT-0647827;EN300-51562;J-518465;Z727614732

Chemical Property of 6-Bromoquinazolin-4-amine

Chemical Property:

• Melting Point: >350 °C
• Boiling Point: 385.4 °C at 760 mmHg
• PKA: 7.04±0.50(Predicted)
• Flash Point: 186.9 °C
• PSA: 51.80000
• Density: 1.744 g/cm³
• LogP: 2.55570
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 222.97451
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

97% ^*data from raw suppliers

6-Bromoquinazolin-4-amine ^*data from reagent suppliers

Safty Information:

• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)C(=NC=N2)N

Technology Process of 6-Bromoquinazolin-4-amine

There total 5 articles about 6-Bromoquinazolin-4-amine 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: 90.0%

2-amino-5-bromobenzonitrile (39263-32-6) + formamide (77287-34-4,77287-35-5,60100-09-6) → 6-bromo-4-aminoquinazoline (21419-48-7)

Guidance literature:

at 200 ℃; for 1h; Microwave irradiation; Sealed vial;

DOI:10.1016/j.tet.2011.05.010

Reference yield: 88.6%

6-bromo-4-chloroquinozoline (38267-96-8) → 6-bromo-4-aminoquinazoline (21419-48-7)

Guidance literature:

With ammonium hydroxide; In tetrahydrofuran; at 40 ℃; for 5h;

Reference yield: 82.0%

5-bromoisatoic anhydride (4692-98-2) → 6-bromo-4-aminoquinazoline (21419-48-7)

Guidance literature:

5-bromoisatoic anhydride; With ammonia; In N,N-dimethyl-formamide; at 20 ℃; for 0.25h;

With ammonia; trichlorophosphate; more than 3 stages;

upstream raw materials:

5-bromoisatoic anhydride

2-amino-5-bromobenzonitrile

formamide

2-amino-4-bromobenzonitrile

Downstream raw materials:

6-(4-fluorophenyl)quinazolin-4-amine