3-(3-hydroxyphenyl)-2-methylquinazolin-4(3H)-one

Base Information

• Chemical Name: 3-(3-hydroxyphenyl)-2-methylquinazolin-4(3H)-one
• CAS No.: 40671-68-9
• Molecular Formula: C15H12N2O2
• Molecular Weight: 252.26800
• DSSTox Substance ID: DTXSID30351830
• Nikkaji Number: J2.147.201H
• Wikidata: Q82128586
• ChEMBL ID: CHEMBL1529696
• Mol file: 40671-68-9.mol

Synonyms:40671-68-9;3-(3-hydroxyphenyl)-2-methylquinazolin-4(3H)-one;3-(3-hydroxyphenyl)-2-methyl-4(3H)-quinazolinone;MLS000061500;HMS1672P16;Oprea1_194317;Oprea1_300930;4(3H)-Quinazolinone, 3-(3-hydroxyphenyl)-2-methyl-;CHEMBL1529696;DTXSID30351830;HMS2329D05;STK079147;AKOS000546877;SDCCGMLS-0029443.P002;SMR000070679;SR-01000453604;SR-01000453604-1;3-(3-hydroxyphenyl)-2-methyl-3,4-dihydroquinazolin-4-one

Chemical Property of 3-(3-hydroxyphenyl)-2-methylquinazolin-4(3H)-one

Chemical Property:

• PSA: 55.12000
• LogP: 2.39970
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 252.089877630
• Heavy Atom Count: 19
• Complexity: 394

Purity/Quality:

99% ^*data from raw suppliers

3-(3-HYDROXYPHENYL)-2-METHYLQUINAZOLIN-4-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)O

Technology Process of 3-(3-hydroxyphenyl)-2-methylquinazolin-4(3H)-one

There total 5 articles about 3-(3-hydroxyphenyl)-2-methylquinazolin-4(3H)-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: 97.0%

acetic anhydride (108-24-7) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) + m-Hydroxyaniline (591-27-5) → 3-(3-hydroxyphenyl)-2-methylquinazolin-4(3H)-one (40671-68-9)

Guidance literature:

With titanium dioxide nanoparticles; at 80 ℃; for 5h; Neat (no solvent);

DOI:10.1055/s-0031-1290610

Reference yield: 67.0%

2-methyl-4-oxo-3,1-benzoxazine (525-76-8) + m-Hydroxyaniline (591-27-5) → 3-(3-hydroxyphenyl)-2-methylquinazolin-4(3H)-one (40671-68-9)

Guidance literature:

In acetic acid; for 4h; Reflux;

DOI:10.1021/acs.jmedchem.6b00372

Reference yield:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 3-(3-hydroxyphenyl)-2-methylquinazolin-4(3H)-one (40671-68-9)

Guidance literature:

Multi-step reaction with 2 steps

1: neat (no solvent) / 6 h / 130 °C / Sealed tube; Inert atmosphere

2: pyridine / 12 h / 140 °C / Sealed tube; Inert atmosphere

With pyridine; In neat (no solvent);

DOI:10.1021/jacs.5b07726

upstream raw materials:

2-methyl-4-oxo-3,1-benzoxazine

m-Hydroxyaniline

anthranilic acid

acetic anhydride

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