Ethyl 4-chloroquinazoline-6-carboxylate

Base Information

• Chemical Name: Ethyl 4-chloroquinazoline-6-carboxylate
• CAS No.: 155960-94-4
• Molecular Formula: C11H9ClN2O2
• Molecular Weight: 236.658
• DSSTox Substance ID: DTXSID40438601
• Wikidata: Q72473814
• Mol file: 155960-94-4.mol

Synonyms:Ethyl 4-chloroquinazoline-6-carboxylate;155960-94-4;Ethyl4-chloroquinazoline-6-carboxylate;SCHEMBL1680503;DTXSID40438601;AMY23591;CS-D1301;MFCD09702011;AKOS015851259;AS-38637;FT-0645857;A18242;J-521327

Chemical Property of Ethyl 4-chloroquinazoline-6-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.615
• Boiling Point: 366.548 °C at 760 mmHg
• PKA: 0.11±0.30(Predicted)
• Flash Point: 175.482 °C
• PSA: 52.08000
• Density: 1.342 g/cm³
• LogP: 2.45990
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 236.0352552
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

97% ^*data from raw suppliers

ETHYL 4-CHLOROQUINAZOLINE-6-CARBOXYLATE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(C=C1)N=CN=C2Cl

Technology Process of Ethyl 4-chloroquinazoline-6-carboxylate

There total 3 articles about Ethyl 4-chloroquinazoline-6-carboxylate 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: 100.0%

ethyl 4-hydroxyquinazoline-6-carboxylate → ethyl 4-chloroquinazoline-6-carboxylate (155960-94-4)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; at 90 ℃; for 3h; Inert atmosphere;

DOI:10.1055/s-0039-1691578

Reference yield: 88.0%

→ ethyl 4-chloroquinazoline-6-carboxylate (155960-94-4)

Guidance literature:

Reference yield: 31.0%

ethyl 4-oxo-3,4-dihydroquinazoline-6-carboxylate → ethyl 4-chloroquinazoline-6-carboxylate (155960-94-4)

Guidance literature:

With trichlorophosphate; for 3h; Heating;

DOI:10.1021/jm00039a024

Downstream raw materials:

4-(3,4-Methylenedioxybenzyl)amino-6-ethoxycarbonylquinazoline

C₁₈H₁₆BrN₃O₃