4(1H)-Quinazolinone, 1-methyl-

Base Information

• Chemical Name: 4(1H)-Quinazolinone, 1-methyl-
• CAS No.: 3476-68-4
• Molecular Formula: C9H8N2O
• Molecular Weight: 160.1726
• Hs Code.: 2933990090
• NSC Number: 94558
• UNII: GHK8W83JM1
• DSSTox Substance ID: DTXSID00188312
• Nikkaji Number: J73.421G
• Wikidata: Q83060128
• Mol file: 3476-68-4.mol

Synonyms:1-Methylquinazolin-4(1H)-one;3476-68-4;Glycorine;1-Methyl-4(1H)-quinazolinone;4(1H)-QUINAZOLINONE, 1-METHYL-;1-methylquinazolin-4-one;NSC 94558;BRN 0127680;GHK8W83JM1;NSC-94558;5-24-03-00048 (Beilstein Handbook Reference);Glycorin;NSC94558;UNII-GHK8W83JM1;SCHEMBL1304538;1-METHYL-4-QUINAZOLONE;DTXSID00188312;KUC112567N;MFCD01685943;AKOS006373184;1-methyl-1,4-dihydroquinazolin-4-one;KSC-321-040;AS-49991;1-Methyl-4(1H)-quinazolinone, AldrichCPR;LS-141036;O10431

Chemical Property of 4(1H)-Quinazolinone, 1-methyl-

Chemical Property:

• Vapor Pressure: 0.0014mmHg at 25°C
• Boiling Point: 296.8°Cat760mmHg
• Flash Point: 133.3°C
• PSA: 34.89000
• Density: 1.21g/cm³
• LogP: 0.93350
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 160.063662883
• Heavy Atom Count: 12
• Complexity: 225

Purity/Quality:

97% ^*data from raw suppliers

1-Methylquinazolin-4(1H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC(=O)C2=CC=CC=C21

Technology Process of 4(1H)-Quinazolinone, 1-methyl-

There total 13 articles about 4(1H)-Quinazolinone, 1-methyl- 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: 99.0%

N-Methylanthranilic acid (119-68-6) + orthoformic acid triethyl ester (122-51-0) → Glycorin (3476-68-4)

Guidance literature:

With ammonium acetate; at 90 - 95 ℃; for 3h; neat (no solvent);

DOI:10.1080/00397911.2011.566407

Reference yield: 93.5%

2-carboxy-1-methyl-4(1H)-quinazolinone (88267-78-1) → Glycorin (3476-68-4)

Guidance literature:

In chloroform; for 3h; Ambient temperature;

Reference yield: 75.0%

1-methyl-4-oxoquinazolinium hexachloroantimonate → Glycorin (3476-68-4)

Guidance literature:

With triethylamine; In dichloromethane; for 12h;

DOI:10.1016/S0040-4020(01)82103-7

upstream raw materials:

4-phenoxy-quinazoline

methyl p-toluene sulfonate

N-Methylanthranilic acid

formamide

Downstream raw materials:

2-methylaminobenzamide