3-Amino-2-phenyl-4(3H)-quinazolinone

Base Information

• Chemical Name: 3-Amino-2-phenyl-4(3H)-quinazolinone
• CAS No.: 1904-60-5
• Molecular Formula: C14H11N3O
• Molecular Weight: 237.261
• Hs Code.: 2933990090
• European Community (EC) Number: 622-629-5
• DSSTox Substance ID: DTXSID90172523
• Nikkaji Number: J839.387G
• Wikidata: Q83042636
• ChEMBL ID: CHEMBL1164861
• Mol file: 1904-60-5.mol

Synonyms:3-Amino-2-phenyl-4(3H)-quinazolinone;1904-60-5;3-amino-2-phenylquinazolin-4(3H)-one;3-amino-2-phenylquinazolin-4-one;3-Amino-2-phenyl-3H-quinazolin-4-one;4(3H)-Quinazolinone, 3-amino-2-phenyl-;3-Amino-2-phenyl-3,4-dihydroquinazolin-4-one;3-amino-2-phenyl-3-hydroquinazolin-4-one;TimTec1_001089;Oprea1_696399;Oprea1_710257;MLS000708502;SCHEMBL3751629;CHEMBL1164861;DTXSID90172523;HMS1537B11;HMS2703O16;3-amino-2-phenyl-quinazolin-4-one;MFCD00447207;STK073489;AKOS000299428;NCGC00174804-01;SMR000287969;BB 0244839;CS-0255488;3-Amino-2-phenyl-4(3H)-quinazolinone, 97%;AE-641/01103004;J-012296;BRD-K89772656-001-01-8

Chemical Property of 3-Amino-2-phenyl-4(3H)-quinazolinone

Chemical Property:

• Vapor Pressure: 9.45E-08mmHg at 25°C
• Melting Point: 176-179 °C(lit.)
• Boiling Point: 434.5°C at 760 mmHg
• Flash Point: 216.6°C
• PSA: 60.91000
• Density: 1.3g/cm³
• LogP: 2.35850
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 237.090211983
• Heavy Atom Count: 18
• Complexity: 360

Purity/Quality:

98%Min ^*data from raw suppliers

3-Amino-2-phenyl-4(3H)-quinazolinone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N

Technology Process of 3-Amino-2-phenyl-4(3H)-quinazolinone

There total 31 articles about 3-Amino-2-phenyl-4(3H)-quinazolinone 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: 95.0%

triethoxymethylbenzene (1663-61-2) + anthranilic acid hydrazide (1904-58-1) → 3-amino-2-phenylquinazolin-4(3H)-one (1904-60-5)

Guidance literature:

With acetic acid; In ethanol; at 110 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.3390/molecules23112925

Reference yield: 90.0%

2-phenyl-4H-3,1-benzoxazin-4-one (1022-46-4) → 3-amino-2-phenylquinazolin-4(3H)-one (1904-60-5)

Guidance literature:

With potassium carbonate; hydrazine hydrate; for 0.025h; Microwave irradiation; Neat (no solvent);

Reference yield: 85.0%

2-phenyl-4H-1,3-benzoxazin-4-one (3084-52-4) → 3-amino-2-phenylquinazolin-4(3H)-one (1904-60-5)

Guidance literature:

With hydrazine hydrate; In ethanol; for 3h; Reflux;

DOI:10.2174/1573406416666200817153033

upstream raw materials:

1-(2'-aminobenzoyl)-2-benzoylhydrazine

N-[2-(hydrazinylcarbonyl)phenyl]benzamide

isatoic anhydride

benzoic acid hydrazide

Downstream raw materials:

2-Phenyl-3-(4-phenylamino-phenyl-diazenyl)-3H-quinazolin-4-one