4-Ethoxyquinazoline

Base Information

• Chemical Name: 4-Ethoxyquinazoline
• CAS No.: 16347-96-9
• Molecular Formula: C10H10N2O
• Molecular Weight: 174.202
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID501315550
• Nikkaji Number: J102.477I
• Wikidata: Q27458440
• ChEMBL ID: CHEMBL263379
• Mol file: 16347-96-9.mol

Synonyms:4-Ethoxyquinazoline;16347-96-9;BtGH84 Activator I;Quinazoline, 4-ethoxy-;4 EtOQz;4-ethox-yquinazoline;starbld0003939;CHEMBL263379;SCHEMBL2631723;DTXSID501315550;AKOS002162378;AC-907/30063019;Q27458440

Chemical Property of 4-Ethoxyquinazoline

Chemical Property:

• Melting Point: 42-44 °C
• Boiling Point: 84 °C(Press: 0.27 Torr)
• PKA: 2.96±0.30(Predicted)
• PSA: 35.01000
• Density: 1.157±0.06 g/cm3(Predicted)
• LogP: 2.02850
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 163

Purity/Quality:

4-ETHOXYQUINAZOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=NC=NC2=CC=CC=C21

Technology Process of 4-Ethoxyquinazoline

There total 12 articles about 4-Ethoxyquinazoline 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: 77.0%

4-Hydroxyquinazoline (491-36-1) + ethanol (64-17-5) → 4-ethoxyquinazoline (16347-96-9)

Guidance literature:

4-Hydroxyquinazoline; With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; caesium carbonate; In tetrahydrofuran; at 20 ℃; for 0.833333h; Inert atmosphere;

ethanol; With caesium carbonate; at 20 ℃; for 3h;

DOI:10.1021/ol101655h

Reference yield:

4-Hydroxyquinazoline (491-36-1) → 4-ethoxyquinazoline (16347-96-9)

Guidance literature:

Multi-step reaction with 2 steps

1: phosphorus oxychloride; phosphorus pentachloride

With phosphorus pentachloride; trichlorophosphate;

Reference yield:

4-ethoxy-2-chloro-quinazoline (98947-26-3) → 4-ethoxyquinazoline (16347-96-9)

Guidance literature:

With methanol; diethyl ether; sodium;

DOI:10.1021/ja01372a041

upstream raw materials:

4-chloroquinazoline

ethanol

sodium ethanolate

Diethyl ethylsodiomalonate

Downstream raw materials:

1-benzoyl-1,2-dihydro-4-ethoxy-2-quinazolinecarbonitrile

4-ethoxy-1H-2,1-benzothiazine 2,2-dioxide

benzamide

Refernces

• 1、 Kokatla, Hari Prasad,Lakshman, Mahesh K.. "One-pot etherification of purine nucleosides and pyrimidines". supporting information; experimental part. p. 4478 - 4481. Retrieved 2010/12/24.