4-phenylquinazolin-2(1H)-one

Base Information

• Chemical Name: 4-phenylquinazolin-2(1H)-one
• CAS No.: 23441-75-0
• Molecular Formula: C14H10 N2 O
• Molecular Weight: 222.246
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70177995
• Nikkaji Number: J1.606.845D
• Wikidata: Q83048340
• ChEMBL ID: CHEMBL1588916
• Mol file: 23441-75-0.mol

Synonyms:4-phenylquinazolin-2(1H)-one;23441-75-0;4-Phenyl-1H-quinazolin-2-one;2(1H)-Quinazolinone, 4-phenyl-;4-Phenyl-2(1H)-quinazolinone;4-phenyl-2,3-dihydroquinazolin-2-one;BRN 0171247;5-24-04-00247 (Beilstein Handbook Reference);4-phenylquinazolin-2-ol;Maybridge1_008986;4-phenylquinazolin-2-one;4-Phenylquinazoline-2-ol;MixCom3_000120;MLS000070504;IFLab1_001017;SCHEMBL4142958;CHEMBL1588916;SCHEMBL10679885;DTXSID70177995;HMS1414O05;HMS2291D11;YAA44175;CCG-47011;MFCD00221481;STK862217;STL163371;AKOS000297231;AKOS002287685;4-phenyl-1,2-dihydroquinazolin-2-one;BS-4306;AM803565;SMR000009521;LS-141189;CS-0038417;FT-0712852;EN300-75168;SR-01000462059;SR-01000462059-1;SR-01000636669-1;F0212-0169;F0257-0047;Z220617816

Chemical Property of 4-phenylquinazolin-2(1H)-one

Chemical Property:

• Vapor Pressure: 3.52E-09mmHg at 25°C
• Melting Point: 254 - 257°C
• Boiling Point: 462.6°Cat760mmHg
• Flash Point: 233.6°C
• PSA: 46.01000
• Density: 1.24g/cm³
• LogP: 3.00240
• Storage Temp.: -20°C, Inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 222.079312947
• Heavy Atom Count: 17
• Complexity: 331

Purity/Quality:

99.90% ^*data from raw suppliers

4-phenyl-2,3-dihydroquinazolin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-phenylquinazolin-2(1H)-one

There total 12 articles about 4-phenylquinazolin-2(1H)-one 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: 80.0%

chloroformic acid ethyl ester (541-41-3) + phenylmagnesium bromide (100-58-3) + anthranilic acid nitrile (1885-29-6) → 4-phenyl-1H-quinazolin-2-one (23441-75-0)

Guidance literature:

phenylmagnesium bromide; anthranilic acid nitrile; In tetrahydrofuran; at 0 ℃; for 3h; Reflux;

chloroformic acid ethyl ester; In tetrahydrofuran; at 0 ℃; for 2h; Reflux;

Reference yield: 66.0%

(2-aminophenyl)(phenyl)methanone (2835-77-0) → 4-phenyl-1H-benzo[c][1,2,6]thiadiazine 2,2-dioxide (4803-21-8) + 4-phenyl-1H-quinazolin-2-one (23441-75-0)

Guidance literature:

With isocyanate de chlorosulfonyle; In benzene;

Reference yield: 8.0%

isocyanate de chlorosulfonyle (1189-71-5) + (2-aminophenyl)(phenyl)methanone (2835-77-0) → 4-phenyl-1H-benzo[c][1,2,6]thiadiazine 2,2-dioxide (4803-21-8) + 4-phenyl-1H-quinazolin-2-one (23441-75-0)

Guidance literature:

In benzene; 1.) 0 deg C to 5 deg C, 60 min, 2.) 28 deg C, 3 h;

upstream raw materials:

tert-butyl phenylcarbamate

benzonitrile

ethyl N-(o-chlorophenyl) carbamate

bromobenzene

Downstream raw materials:

N-{5-[(N,N-dimethylglycyl)amino]-2-methylphenyl}-4-[(4-phenylquinazolin-2-yl)amino]benzamide

N-{5-[(cyclopropylamino)methyl]-2-methylphenyl}-4-[(4-phenylquinazolin-2-yl)amino]benzamide

N-[2-methyl-5-(2-methyl-2H-tetrazol-5-yl)phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide

N-[2-methyl-5-(1H-tetrazol-5-yl)phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide