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

Base Information

• Chemical Name: 4(3H)-Quinazolinone, 2-methoxy-3-phenyl-
• CAS No.: 640272-65-7
• Molecular Formula: C15H12N2O2
• Molecular Weight: 252.272
• DSSTox Substance ID: DTXSID20466967
• Wikidata: Q82293674
• Mol file: 640272-65-7.mol

Synonyms:2-methoxy-3-phenylquinazolin-4(3H)-one;640272-65-7;2-methoxy-3-phenyl-3,4-dihydroquinazolin-4-one;4(3H)-Quinazolinone, 2-methoxy-3-phenyl-;YAMCZACBLMCXGZ-UHFFFAOYSA-;DTXSID20466967;InChI=1/C15H12N2O2/c1-19-15-16-13-10-6-5-9-12(13)14(18)17(15)11-7-3-2-4-8-11/h2-10H,1H3

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

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.089877630
• Heavy Atom Count: 19
• Complexity: 374

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3

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

There total 4 articles about 4(3H)-Quinazolinone, 2-methoxy-3-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: 93.0%

methanol (67-56-1) + 4-oxo-3-phenyl-3,4-dihydroquinazoline-2-carbonitrile (731-51-1) → 2-methoxy-3-phenyl-3H-quinazolin-4-one (640272-65-7)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 1h;

DOI:10.1002/jhet.5570400522

Reference yield:

methyl 2-isothiocyanatobenzoate (16024-82-1) → 2-methoxy-3-phenyl-3H-quinazolin-4-one (640272-65-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 98 percent / ethanol; H₂O / 0.5 h / 20 °C

2.1: Et₃N; MeI / benzene / 0.5 h

2.2: 60 percent / benzene / 24 h / Heating

3.1: 93 percent / NaOH / 1 h / 20 °C

With sodium hydroxide; triethylamine; methyl iodide; In ethanol; water; benzene;

DOI:10.1002/jhet.5570400522

Reference yield:

methyl N-(cyanothioformyl)anthranilate (169778-78-3) → 2-methoxy-3-phenyl-3H-quinazolin-4-one (640272-65-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Et₃N; MeI / benzene / 0.5 h

1.2: 60 percent / benzene / 24 h / Heating

2.1: 93 percent / NaOH / 1 h / 20 °C

With sodium hydroxide; triethylamine; methyl iodide; In benzene;

DOI:10.1002/jhet.5570400522

upstream raw materials:

sodium methylate

methanol

4-oxo-3-phenyl-3,4-dihydroquinazoline-2-carbonitrile

methyl 2-isothiocyanatobenzoate