Quercetagetin 3-methyl ether

Base Information

• Chemical Name: Quercetagetin 3-methyl ether
• CAS No.: 64190-88-1
• Molecular Formula: C16H12 O8
• Molecular Weight: 332.266
• DSSTox Substance ID: DTXSID70214394
• Wikidata: Q83090227
• Metabolomics Workbench ID: 26067
• ChEMBL ID: CHEMBL478439
• Mol file: 64190-88-1.mol

Synonyms:Quercetagetin 3-methyl ether;CHEMBL478439;64190-88-1;2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-methoxychromen-4-one;3',4',5,6,7-Pentahydroxy-3-methoxyflavone;DTXSID70214394;CHEBI:168270;BDBM50412299;LMPK12112984;4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-methoxy-

Chemical Property of Quercetagetin 3-methyl ether

Chemical Property:

• Vapor Pressure: 7.47E-22mmHg at 25°C
• Boiling Point: 727.2°Cat760mmHg
• Flash Point: 274.8°C
• Density: 1.8g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 332.05321734
• Heavy Atom Count: 24
• Complexity: 532

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC(=C(C=C3)O)O

Technology Process of Quercetagetin 3-methyl ether

There total 2 articles about Quercetagetin 3-methyl ether 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:

2-(3-benzyloxy-4-methoxy-phenyl)-6-hydroxy-3,5,7-trimethoxy-chromen-4-one (124909-82-6) → 3,4',5,6,7-pentahydroxy-3-methoxy-flavone (64190-88-1)

Guidance literature:

With aluminum tri-bromide; In acetonitrile; at 70 ℃; for 10h;

DOI:10.1246/bcsj.66.877

Reference yield:

Acetic acid 2-(3,4-diacetoxy-phenyl)-3,5,7-trimethoxy-4-oxo-4H-chromen-6-yl ester → 3,4',5,6,7-pentahydroxy-3-methoxy-flavone (64190-88-1)

Guidance literature:

With aluminium trichloride; water; In acetonitrile; at 70 ℃; for 36h;

DOI:10.1246/bcsj.66.877

upstream raw materials:

2-(3-benzyloxy-4-methoxy-phenyl)-6-hydroxy-3,5,7-trimethoxy-chromen-4-one

Refernces