Flavone, 5,7-dimethoxy-3,3',4'-trihydroxy-

Base Information

• Chemical Name: Flavone, 5,7-dimethoxy-3,3',4'-trihydroxy-
• CAS No.: 13459-07-9
• Molecular Formula: C17H14O7
• Molecular Weight: 330.294
• Hs Code.: 2914509090
• UNII: EZP8DD3MMB
• DSSTox Substance ID: DTXSID00158818
• Nikkaji Number: J963F
• Wikidata: Q83027132
• ChEMBL ID: CHEMBL2043332
• Mol file: 13459-07-9.mol

Synonyms:5,7-Di-O-methylquercetin;13459-07-9;FLAVONE, 5,7-DIMETHOXY-3,3',4'-TRIHYDROXY-;5,7-Dimethoxy-3,3',4'-trihydroxyflavone;BRN 0344074;2-(3,4-dihydroxyphenyl)-3-hydroxy-5,7-dimethoxychromen-4-one;2-(3,4-dihydroxyphenyl)-3-hydroxy-5,7-dimethoxy-4H-chromen-4-one;4H-1-Benzopyran-4-one, 5,7-dimethoxy-3-hydroxy-2-(3',4'-dihydroxyphenyl)-;4-18-00-03476 (Beilstein Handbook Reference);4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-hydroxy-5,7-dimethoxy-;EZP8DD3MMB;5,7-O-dimethylquercetin;CHEMBL2043332;DTXSID00158818;AKOS040735970;FS-7745;LS-68978;Flavone, 5,7-dimethoxy-3,3/',4/'-trihydroxy-;2-(3,4-Dihydroxyphenyl)-3-hydroxy-5,7-dimethoxy-4H-1-benzopyran-4-one

Chemical Property of Flavone, 5,7-dimethoxy-3,3',4'-trihydroxy-

Chemical Property:

• Vapor Pressure: 1.13E-15mmHg at 25°C
• Boiling Point: 608.8°C at 760 mmHg
• PKA: 7.78±0.20(Predicted)
• Flash Point: 228°C
• PSA: 109.36000
• Density: 1.507g/cm³
• LogP: 2.59400
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 330.07395278
• Heavy Atom Count: 24
• Complexity: 517

Purity/Quality:

Analysis control,HPLC≥95% ^*data from raw suppliers

5,7-Di-O-methylquercetin ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O

Technology Process of Flavone, 5,7-dimethoxy-3,3',4'-trihydroxy-

There total 4 articles about Flavone, 5,7-dimethoxy-3,3',4'-trihydroxy- 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: 92.0%

3-(benzyloxy)-2-(2,2-diphenylbenzo[d][1,3]dioxol-5-yl)-5,7-dimethoxy-4H-chromen-4-one (1393953-78-0) → 2-(3,4-dihydroxyphenyl)-3-hydroxy-5,7-dimethoxy-4H-chromen-4-one (13459-07-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; ethanol; for 12h; under 760.051 Torr;

DOI:10.1016/j.ejmech.2012.04.044

Reference yield:

3-acetoxy-2-(3,4-diacetoxy-phenyl)-5,7-dimethoxy-chromen-4-one (112599-24-3) → 2-(3,4-dihydroxyphenyl)-3-hydroxy-5,7-dimethoxy-4H-chromen-4-one (13459-07-9)

Guidance literature:

With methanol; sodium hydroxide; anschliessend Erhitzen mit wss, Salzsaeure;

DOI:10.1021/ja01553a053

Reference yield:

3-acetoxy-2-(3,4-diacetoxy-phenyl)-5-hydroxy-7-methoxy-chromen-4-one (114889-48-4) → 2-(3,4-dihydroxyphenyl)-3-hydroxy-5,7-dimethoxy-4H-chromen-4-one (13459-07-9)

Guidance literature:

Multi-step reaction with 2 steps

1: acetone; potassium carbonate

2: methanol; aq. NaOH solution / anschliessend Erhitzen mit wss, Salzsaeure

With methanol; sodium hydroxide; potassium carbonate; acetone;

DOI:10.1021/ja01553a053

upstream raw materials:

3-acetoxy-2-(3,4-diacetoxy-phenyl)-5,7-dimethoxy-chromen-4-one

3-acetoxy-2-(3,4-diacetoxy-phenyl)-5-hydroxy-7-methoxy-chromen-4-one

rhamnetin

3-(benzyloxy)-2-(2,2-diphenylbenzo[d][1,3]dioxol-5-yl)-5,7-dimethoxy-4H-chromen-4-one