5,7-Dimethoxyisoflavone

Base Information

• Chemical Name: 5,7-Dimethoxyisoflavone
• CAS No.: 26964-35-2
• Molecular Formula: C17H14O4
• Molecular Weight: 282.296
• Hs Code.: 2914509090
• UNII: NE98V0XL72
• DSSTox Substance ID: DTXSID60425119
• Nikkaji Number: J46.349C
• Wikidata: Q27284826
• Metabolomics Workbench ID: 22296
• ChEMBL ID: CHEMBL308688
• Mol file: 26964-35-2.mol

Synonyms:5,7-Dimethoxyisoflavone;26964-35-2;5,7-dimethoxy-3-phenylchromen-4-one;Isoflavone, 5,7-dimethoxy-;5,7-Dimethoxy-3-phenyl-4H-chromen-4-one;NE98V0XL72;4H-1-Benzopyran-4-one, 5,7-dimethoxy-3-phenyl-;KBio2_002369;Spectrum_001856;Spectrum2_000045;Spectrum3_001141;Spectrum4_000195;Spectrum4_001988;UNII-NE98V0XL72;BSPBio_002661;KBioGR_000769;KBioGR_002522;KBioSS_002373;SPECTRUM240576;SPBio_000169;CHEMBL308688;SCHEMBL1675985;KBio2_004937;KBio2_007505;KBio3_002161;DTXSID60425119;CHEBI:174686;5,7-dimethoxyisoflavone, AldrichCPR;CCG-38349;LMPK12050159;SDCCGMLS-0066469.P001;NCGC00095549-01;NCGC00095549-02;NCGC00178547-01;FT-0737464;(S)-2,6-Bis-tert-butoxycarbonylaminohexanoicacid;4H-1-Benzopyran-4-one,5,7-dimethoxy-3-phenyl-;BRD-K41321810-001-02-2;Q27284826

Chemical Property of 5,7-Dimethoxyisoflavone

Chemical Property:

• Vapor Pressure: 3.01E-09mmHg at 25°C
• Refractive Index: 1.598
• Boiling Point: 476.6 °C at 760 mmHg
• Flash Point: 213.5 °C
• PSA: 48.67000
• Density: 1.242 g/cm³
• LogP: 3.47720
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 282.08920892
• Heavy Atom Count: 21
• Complexity: 411

Purity/Quality:

99% ^*data from raw suppliers

5,7-Dimethoxyisoflavone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C(=C1)OC)C(=O)C(=CO2)C3=CC=CC=C3

Technology Process of 5,7-Dimethoxyisoflavone

There total 16 articles about 5,7-Dimethoxyisoflavone 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%

5,7-dimethoxyflavone (1036-72-2) → 5,7-dimethoxyisoflavone (26964-35-2)

Guidance literature:

With thallium(III) toluene-p-sulfonate; In acetonitrile; for 2h; Heating;

Reference yield: 84.0%

3-allyloxycarbonyl-5,7-dimethoxy-3-phenylchroman-4-one (153488-99-4) → 5,7-dimethoxyisoflavone (26964-35-2)

Guidance literature:

With palladium diacetate; 1,2-bis-(diphenylphosphino)ethane; In acetonitrile; for 4h; Heating;

Reference yield:

2-hydroxy-4,6-dimethoxyacetophenone (90-24-4) → 5,7-dimethoxyisoflavone (26964-35-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / KOH / methanol / 24 h / 20 °C

2: 84 percent / pyridine / methanol; H₂O / 12 h / Heating

3: 92 percent / thallium(III) p-tosylate / acetonitrile / 2 h / Heating

With pyridine; potassium hydroxide; thallium(III) toluene-p-sulfonate; In methanol; water; acetonitrile; 1: Claisen condensation;

upstream raw materials:

2-hydroxy-5,7-dimethoxy-3-phenyl-chroman-4-one

5,7-dimethoxy-4-oxo-3-phenyl-4H-chromene-2-carboxylic acid

2-hydroxy-4,6-dimethoxyphenyl benzyl ketone

formic acid ethyl ester

Downstream raw materials:

5,7-dimethoxyisoflavone

5-hydroxy-7-methoxy-3-phenyl-chromen-4-one

5,7-dihydroxyisoflavone