7-hydroxy-3-(2-methoxyphenyl)-4H-chromen-4-one

Base Information

• Chemical Name: 7-hydroxy-3-(2-methoxyphenyl)-4H-chromen-4-one
• CAS No.: 63909-40-0
• Molecular Formula: C16H12O4
• Molecular Weight: 268.269
• European Community (EC) Number: 861-309-1
• DSSTox Substance ID: DTXSID80419858
• Nikkaji Number: J450.372D
• Wikidata: Q27187523
• ChEMBL ID: CHEMBL575073
• Mol file: 63909-40-0.mol

Synonyms:7-hydroxy-3-(2-methoxyphenyl)-4H-chromen-4-one;63909-40-0;7-hydroxy-3-(2-methoxyphenyl)chromen-4-one;7-hydroxy-2'-methoxyisoflavone;KBio2_001215;Spectrum_000735;SpecPlus_000115;Spectrum2_000598;Spectrum3_000688;Spectrum4_001613;Spectrum5_000365;Oprea1_731203;BSPBio_002415;KBioGR_001985;KBioSS_001215;SPECTRUM201309;DivK1c_006211;SCHEMBL234467;SPBio_000476;CHEMBL575073;KBio1_001155;KBio2_003783;KBio2_006351;KBio3_001635;DTXSID80419858;AHLHZSCENKUUSF-UHFFFAOYSA-N;CHEBI:108602;BBL034746;CCG-39150;MFCD00205542;STK888282;AKOS000270914;7-HYDROXY-2;-METHOXYISOFLAVONE;NCGC00095822-01;NCGC00095822-02;NCGC00095822-03;NCGC00178663-01;PD002190;VS-12657;CS-0188394;EN300-37034;7-hydroxy-3-(2-methoxy-phenyl)-chromen-4-one;E84479;AB00052652-03;7-hydroxy-3-(2-methoxyphenyl)-1-benzopyran-4-one;BRD-K09203354-001-02-4;Q27187523;Z57921784;F0850-4769

Chemical Property of 7-hydroxy-3-(2-methoxyphenyl)-4H-chromen-4-one

Chemical Property:

• Melting Point: 230-232 °C
• Boiling Point: 489.3±45.0 °C(Predicted)
• PKA: 6.96±0.20(Predicted)
• PSA: 59.67000
• Density: 1.329±0.06 g/cm3(Predicted)
• LogP: 3.17420
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 268.07355886
• Heavy Atom Count: 20
• Complexity: 403

Purity/Quality:

98%min ^*data from raw suppliers

7-Hydroxy-3-(2-methoxyphenyl)-4H-chromen-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O

Technology Process of 7-hydroxy-3-(2-methoxyphenyl)-4H-chromen-4-one

There total 12 articles about 7-hydroxy-3-(2-methoxyphenyl)-4H-chromen-4-one 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: 98.0%

1-(2,4-dihydroxy-phenyl)-2-(2-methoxy-phenyl)-ethanone (92549-46-7) → 7-hydroxy-3-(2-methoxyphenyl)-4H-chromen-4-one (63909-40-0)

Guidance literature:

With methanesulfonyl chloride; In N,N-dimethyl-formamide; at 60 - 70 ℃; for 1h;

Reference yield: 87.0%

2'-methoxy-7-(tetrahydropyran-2-yloxy)isoflavone (1125671-13-7) → 7-hydroxy-3-(2-methoxyphenyl)-4H-chromen-4-one (63909-40-0)

Guidance literature:

With toluene-4-sulfonic acid; In tetrahydrofuran; methanol;

DOI:10.1248/CPB.C20-00194

Reference yield: 75.0%

1-(2,4-dihydroxy-phenyl)-2-(2-methoxy-phenyl)-ethanone (92549-46-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 7-hydroxy-3-(2-methoxyphenyl)-4H-chromen-4-one (63909-40-0)

Guidance literature:

With boron trifluoride diethyl etherate; at 0 ℃;

upstream raw materials:

1-(2,4-dihydroxy-phenyl)-2-(2-methoxy-phenyl)-ethanone

formic acid ethyl ester

2-methoxyphenylacetic acid

recorcinol

Downstream raw materials:

2,2-dimethyl-propanoic acid 3-(2-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl ester

3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 5-(acetyloxy)-2-methyl-1-benzofuran-3-carboxylate

7-hydroxy-3-(2-methoxyphenyl)-8-(piperidin-1-yl-methyl)-4H-chromen-4-one

7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]-4H-chromen-4-one