4-Phenylquinazoline

Base Information

• Chemical Name: 4-Phenylquinazoline
• CAS No.: 17629-01-5
• Molecular Formula: C14H10 N2
• Molecular Weight: 206.247
• European Community (EC) Number: 654-798-6
• NSC Number: 97030
• DSSTox Substance ID: DTXSID60294549
• Nikkaji Number: J1.604.940I
• Wikidata: Q82033911
• ChEMBL ID: CHEMBL2357789
• Mol file: 17629-01-5.mol

Synonyms:4-phenylquinazoline;17629-01-5;MLS002703363;CHEMBL2357789;NSC97030;SCHEMBL4640585;DTXSID60294549;BDBM50590600;NSC-97030;AKOS024323271;SMR001570085;A812232;2-(8-Bromooctyl)isoindoline-1,3-dione

Chemical Property of 4-Phenylquinazoline

Chemical Property:

• Vapor Pressure: 8.32E-05mmHg at 25°C
• Boiling Point: 351.5°C at 760 mmHg
• Flash Point: 170.1°C
• Density: 1.176g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 206.084398327
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC=NC3=CC=CC=C32

Technology Process of 4-Phenylquinazoline

There total 69 articles about 4-Phenylquinazoline 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: 99.0%

N,N-dimethyl acetamide (127-19-5,116057-81-9) + (2-aminophenyl)(phenyl)methanone (2835-77-0) → 4-phenylquinazoline (17629-01-5)

Guidance literature:

With tert.-butylhydroperoxide; N-iodo-succinimide; ammonia; In water; at 120 ℃; for 4h;

DOI:10.1002/anie.201203880

Reference yield: 97.0%

N,N,N,N,-tetramethylethylenediamine (110-18-9) + (2-aminophenyl)(phenyl)methanone (2835-77-0) → 4-phenylquinazoline (17629-01-5)

Guidance literature:

With iodine; oxygen; ammonium chloride; In dimethyl sulfoxide; at 120 ℃; for 20h; under 760.051 Torr; Reagent/catalyst;

DOI:10.1021/acs.joc.5b00474

Reference yield: 95.0%

tert-butyl methyl ether (1634-04-4) + (2-aminophenyl)(phenyl)methanone (2835-77-0) → 4-phenylquinazoline (17629-01-5)

Guidance literature:

With tert.-butylhydroperoxide; ammonia; iodine; In water; at 50 ℃; for 12h;

DOI:10.1002/anie.201203880

upstream raw materials:

3,4-dihydro-4-phenylquinazoline

4-phenylquinazoline-2-carboxylic acid

formamide

(2-aminophenyl)(phenyl)methanone

Downstream raw materials:

3,4-dihydro-4-phenylquinazoline