3'-Methoxydaidzein

Base Information

• Chemical Name: 3'-Methoxydaidzein
• CAS No.: 21913-98-4
• Molecular Formula: C16H12 O5
• Molecular Weight: 284.268
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID30176328
• Nikkaji Number: J91.439H
• Wikidata: Q27134268
• Metabolomics Workbench ID: 22195
• ChEMBL ID: CHEMBL450602
• Mol file: 21913-98-4.mol

Synonyms:3'-Methoxydaidzein;21913-98-4;7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one;7,4'-dihydroxy-3'-methoxyisoflavone;CHEBI:65780;7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one;3/'-Methoxydaidzein;CHEMBL450602;SCHEMBL2069826;DTXSID30176328;HY-N1847;LMPK12050057;4',7-dihydroxy-3'-methoxyisoflavone;AKOS025288163;Isoflavone, 4',7-dihydroxy-3'-methoxy-;CS-0017701;Q27134268;B0005-220938;4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-

Chemical Property of 3'-Methoxydaidzein

Chemical Property:

• Vapor Pressure: 4.87E-12mmHg at 25°C
• Melting Point: 258-260℃
• Boiling Point: 534.5°Cat760mmHg
• PKA: 6.85±0.20(Predicted)
• Flash Point: 204.8°C
• PSA: 79.90000
• Density: 1.42g/cm³
• LogP: 2.87980
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 284.06847348
• Heavy Atom Count: 21
• Complexity: 432

Purity/Quality:

98% ^*data from raw suppliers

4'',7-Dihydroxy-3''-methoxyisoflavone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O
• Uses: 4'',7-Dihydroxy-3''-methoxyisoflavone is a flavonoid found in the poisonous plant Oxytropis falcata with potent antiproliferative acitivities.

Technology Process of 3'-Methoxydaidzein

There total 12 articles about 3'-Methoxydaidzein 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: 94.0%

1-(2,4-dihydroxyphenyl)-2-(4'-hydroxy-3'-methoxyphenyl)ethanone (40456-49-3) → 4',7-dihydroxy-3'-methoxyisoflavone (21913-98-4)

Guidance literature:

With methanesulfonyl chloride; In N,N-dimethyl-formamide; at 60 - 70 ℃; for 1.5h;

Reference yield: 52.0%

1-(2,4-dihydroxyphenyl)-2-(4'-hydroxy-3'-methoxyphenyl)ethanone (40456-49-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4',7-dihydroxy-3'-methoxyisoflavone (21913-98-4)

Guidance literature:

1-(2,4-dihydroxyphenyl)-2-(4'-hydroxy-3'-methoxyphenyl)ethanone; N,N-dimethyl-formamide; at 50 ℃; for 0.166667h;

With methanesulfonyl chloride; In N,N-dimethyl-formamide; at 80 ℃; for 0.5h;

DOI:10.1248/cpb.57.346

Reference yield:

4',7-dihydroxy-3'-methoxyflavanone (137297-47-3) → 4',7-dihydroxy-3'-methoxyisoflavone (21913-98-4)

Guidance literature:

With NADP; D-Galactose; In dimethyl sulfoxide; at 30 ℃; for 72h; Microbiological reaction;

DOI:10.1016/j.chembiol.2010.03.010

upstream raw materials:

1-(2,4-dihydroxyphenyl)-2-(4'-hydroxy-3'-methoxyphenyl)ethanone

4,4'-Di(ethoxymethoxy)-2'-hydroxy-3-methoxychalkone

3'-methoxydaidzin

4-benzyloxy-3-methoxyphenylacetic acid

Downstream raw materials:

7-Hydroxy-3-(4-hydroxy-3-methoxy-phenyl)-chroman-4-one

(3R,4S)-3-(4-Hydroxy-3-methoxy-phenyl)-chroman-4,7-diol