3-amino-7-chloro-2-methylquinazolin-4(3H)-one

Base Information

• Chemical Name: 3-amino-7-chloro-2-methylquinazolin-4(3H)-one
• CAS No.: 90537-62-5
• Molecular Formula: C₉H₈ClN₃O
• Molecular Weight: 209.635
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80366611
• Wikidata: Q82151901
• Mol file: 90537-62-5.mol

Synonyms:3-amino-7-chloro-2-methylquinazolin-4(3H)-one;90537-62-5;3-amino-7-chloro-2-methylquinazolin-4-one;3-amino-7-chloro-2-methyl-3,4-dihydroquinazolin-4-one;SCHEMBL3759828;DTXSID80366611;GINCQOASZXXVEB-UHFFFAOYSA-N;AKOS005198697;WAY-623714;EN300-09771;Z56987687

Chemical Property of 3-amino-7-chloro-2-methylquinazolin-4(3H)-one

Chemical Property:

• Vapor Pressure: 1.78E-06mmHg at 25°C
• Boiling Point: 395.9°Cat760mmHg
• Flash Point: 193.2°C
• PSA: 60.91000
• Density: 1.51g/cm³
• LogP: 1.65330
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 209.0355896
• Heavy Atom Count: 14
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

3-amino-7-chloro-2-methyl-3,4-dihydroquinazolin-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC2=C(C=CC(=C2)Cl)C(=O)N1N

Technology Process of 3-amino-7-chloro-2-methylquinazolin-4(3H)-one

There total 4 articles about 3-amino-7-chloro-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: 74.5%

→ 3-amino-7-chloro-2-methyl-4(3H)-quinazoline (90537-62-5)

Guidance literature:

Reference yield: 56.0%

7-chloro-2-methyl-4H-3,1-benzoxazin-4-one (708-73-6) → 3-amino-7-chloro-2-methyl-4(3H)-quinazoline (90537-62-5)

Guidance literature:

With hydrazine hydrate; In ethanol; for 24h; Heating;

Reference yield:

2-Amino-4-chlorobenzoic acid (89-77-0) → 3-amino-7-chloro-2-methyl-4(3H)-quinazoline (90537-62-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 4 h / 150 °C

2: hydrazine hydrate / ethanol / Reflux

With hydrazine hydrate; In ethanol;

DOI:10.3987/COM-18-13944

upstream raw materials:

7-chloro-2-methyl-4H-3,1-benzoxazin-4-one

2-Amino-4-chlorobenzoic acid