4-Chloro-5-methylquinazoline

Base Information

• Chemical Name: 4-Chloro-5-methylquinazoline
• CAS No.: 90272-82-5
• Molecular Formula: C₉H₇ClN₂
• Molecular Weight: 178.621
• Hs Code.: 2933990090
• European Community (EC) Number: 825-618-5
• DSSTox Substance ID: DTXSID20542199
• Wikidata: Q82418786
• Mol file: 90272-82-5.mol

Synonyms:4-chloro-5-methylquinazoline;90272-82-5;4-chloro-5-methylquinazolone;4-Chloro-5-methyl-quinazoline;SCHEMBL1014181;DTXSID20542199;WKUGOPBOTIQGGR-UHFFFAOYSA-N;MFCD09998953;AKOS012384975;AS-41801;CS-0257803;EN300-67938;Z1082217448

Chemical Property of 4-Chloro-5-methylquinazoline

Chemical Property:

• Melting Point: 104.5-105.5 °C
• Boiling Point: 298.2±20.0 °C(Predicted)
• PKA: 1.11±0.30(Predicted)
• PSA: 25.78000
• Density: 1.292±0.06 g/cm3(Predicted)
• LogP: 2.59160
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 178.0297759
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

4-chloro-5-methylquinazoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)N=CN=C2Cl

Technology Process of 4-Chloro-5-methylquinazoline

There total 5 articles about 4-Chloro-5-methylquinazoline 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: 87.0%

→ 4-chloro-5-methylquinazoline (90272-82-5)

Guidance literature:

Reference yield: 85.0%

5-methyl-quinazolin-4(3H)-one (75844-41-6) → 4-chloro-5-methylquinazoline (90272-82-5)

Guidance literature:

With 2,2'-iminobis[ethanol]; trichlorophosphate; In toluene; for 0.5h; Heating / reflux;

Reference yield:

5-methyl-4-hydroxyquinazoline → 4-chloro-5-methylquinazoline (90272-82-5)

Guidance literature:

5-methyl-4-hydroxyquinazoline; With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 70 ℃; for 0.166667h;

With trichlorophosphate; In acetonitrile; for 16h;

upstream raw materials:

5-methyl-quinazolin-4(3H)-one

2-methyl-6-nitrobenzoic acid

2-amino-6-methylbenzoic acid