4-Methoxyquinazoline

Base Information

• Chemical Name: 4-Methoxyquinazoline
• CAS No.: 16347-95-8
• Molecular Formula: C9H8 N2 O
• Molecular Weight: 160.1726
• Hs Code.: 2933990090
• NSC Number: 45918
• UNII: 7D3Q6G9DJ4
• DSSTox Substance ID: DTXSID80167600
• Nikkaji Number: J112.985F
• Wikidata: Q83037008
• Mol file: 16347-95-8.mol

Synonyms:4-Methoxyquinazoline;16347-95-8;QUINAZOLINE, 4-METHOXY-;NSC 45918;BRN 0124931;7D3Q6G9DJ4;NSC-45918;5-23-11-00440 (Beilstein Handbook Reference);NSC45918;UNII-7D3Q6G9DJ4;SCHEMBL7053228;DTXSID80167600;LS-140180

Chemical Property of 4-Methoxyquinazoline

Chemical Property:

• Vapor Pressure: 0.00437mmHg at 25°C
• Boiling Point: 287.1°Cat760mmHg
• Flash Point: 105.3°C
• PSA: 35.01000
• Density: 1.195g/cm³
• LogP: 1.63840
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 160.063662883
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

4-Methoxyquinazoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NC=NC2=CC=CC=C21

Technology Process of 4-Methoxyquinazoline

There total 11 articles about 4-Methoxyquinazoline 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: 97.0%

methanol (67-56-1) + 4-(trichloromethyl)quinazoline (99356-81-7) → 4-methoxyquinazoline (16347-95-8)

Guidance literature:

With sodium methylate; for 5h;

DOI:10.1021/jo00225a092

Reference yield: 84.0%

methanol (67-56-1) + 4-chloroquinazoline (5190-68-1) → 4-methoxyquinazoline (16347-95-8)

Guidance literature:

With sodium; at 50 - 70 ℃; for 0.5h;

Reference yield: 81.0%

methanol (67-56-1) + 4-Hydroxyquinazoline (491-36-1) → 4-methoxyquinazoline (16347-95-8)

Guidance literature:

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

methanol; With caesium carbonate; at 20 ℃; for 0.166667h;

DOI:10.1021/ol101655h

upstream raw materials:

diazomethane

4-Hydroxyquinazoline

methanol

4-chloroquinazoline

Downstream raw materials:

1.4-Dihydro-1-hydroxy-4-oxochinazolin

1,3-dimethyl-4-oxo-3,4-dihydroquinazolin-1-ium iodide

4-ethoxyquinazoline

phenyl(quinazolin-4-yl)methanone

Refernces

• 1、 Mencarelli, Paolo,Stegel, Franco. "Formation of a Neutral Covalent Adduct in the Nucleophilic Aromatic Substitution Reaction Involving a Carbon Leaving Group". . p. 5415 - 5417. Retrieved 1985.
• 2、 Tomisek,Christensen. "-". . p. 2112,2114. Retrieved 1945.
• 3、 ?tefane, Bogdan,Polanc, Slovenko. "CAN-mediated oxidation of electron-deficient aryl and heteroaryl hydrazines and hydrazides". scheme or table. p. 1279 - 1282. Retrieved 2009/04/06.