4(3H)-Quinazolinone, 3-(4-methoxyphenyl)-2-phenyl-

Base Information

• Chemical Name: 4(3H)-Quinazolinone, 3-(4-methoxyphenyl)-2-phenyl-
• CAS No.: 37856-17-0
• Molecular Formula: C21H16N2O2
• Molecular Weight: 328.37
• DSSTox Substance ID: DTXSID50351776
• Nikkaji Number: J2.572.756H
• Wikidata: Q82128477
• ChEMBL ID: CHEMBL1547985
• Mol file: 37856-17-0.mol

Synonyms:37856-17-0;3-(4-methoxyphenyl)-2-phenylquinazolin-4(3H)-one;4(3H)-Quinazolinone, 3-(4-methoxyphenyl)-2-phenyl-;Oprea1_564644;MLS000779423;3-(4-Methoxy-phenyl)-2-phenyl-3H-quinazolin-4-one;CHEMBL1547985;DTXSID50351776;HMS2762L08;STK286985;AKOS001669180;SMR000416125;EU-0007745;SR-01000458649;SR-01000458649-1;3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroquinazolin-4-one;3-(4-METHOXYPHENYL)-2-PHENYL-4(3H)-QUINAZOLINONE

Chemical Property of 4(3H)-Quinazolinone, 3-(4-methoxyphenyl)-2-phenyl-

Chemical Property:

• PSA: 44.12000
• LogP: 4.06130
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 328.121177757
• Heavy Atom Count: 25
• Complexity: 504

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

Technology Process of 4(3H)-Quinazolinone, 3-(4-methoxyphenyl)-2-phenyl-

There total 34 articles about 4(3H)-Quinazolinone, 3-(4-methoxyphenyl)-2-phenyl- 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: 96.0%

2-(Benzoylamino)benzoic Acid (579-93-1) + 4-methoxy-aniline (104-94-9) → 3-(4-methoxyphenyl)-2-phenyl-(3H)-quinazolin-4-one (37856-17-0)

Guidance literature:

With phosphorus trichloride; In acetonitrile; at 20 - 50 ℃;

DOI:10.1021/ja9077705

Reference yield: 83.0%

isatoic anhydride (118-48-9) + benzoyl chloride (98-88-4) + 4-methoxy-aniline (104-94-9) → 3-(4-methoxyphenyl)-2-phenyl-(3H)-quinazolin-4-one (37856-17-0)

Guidance literature:

With 2-chloropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at -78 - 40 ℃; for 2.25h; Inert atmosphere;

DOI:10.3184/174751915X14229898818046

Reference yield: 83.0%

toluene (108-88-3,15644-74-3,16713-13-6) + 2-amino-N-(4-methoxyphenyl)benzamide (20878-54-0) → 3-(4-methoxyphenyl)-2-phenyl-(3H)-quinazolin-4-one (37856-17-0)

Guidance literature:

With di-tert-butyl peroxide; iron(III) chloride hexahydrate; In dimethyl sulfoxide; at 110 ℃; for 40h; Sealed tube;

DOI:10.1039/d0ob00866d

upstream raw materials:

N-benzoyl-anthranilic acid p-anisidide

N-(4-methoxyphenyl)benzimidoyl chloride

2-carbomethoxyaniline

2-phenyl-4H-3,1-benzoxazin-4-one

Downstream raw materials:

4,4-di-naphthalen-1-yl-2-phenyl-4H-benzo[d][1,3]oxazine