3-(4-Methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
• CAS No.: 76172-68-4
• Molecular Formula: C16H16 O5
• Molecular Weight: 288.3
• Hs Code.: 2914509090
• European Community (EC) Number: 278-386-7
• DSSTox Substance ID: DTXSID90997516
• Nikkaji Number: J319.177J
• Wikidata: Q82989664
• Metabolomics Workbench ID: 27003
• ChEMBL ID: CHEMBL4101262
• Mol file: 76172-68-4.mol

Synonyms:76172-68-4;3-(4-Methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;2',4',6'-Trihydroxy-4-methoxydihydrochalcone;4-METHOXY-2',4',6'-TRIHYDROXYDIHYDROCHALCONE;CHEMBL4101262;Isosakuranetin dihydrochalcone;Dihydrosakuranetin;O-methyl phloretin;EINECS 278-386-7;SCHEMBL457127;DTXSID90997516;CHEBI:184470;YQNPVOBVGNGYHD-UHFFFAOYSA-N;BDBM50235131;LMPK12120528;XD161727;XI161831;XT161894;3-(4-methoxyphenyl)propanoyl-phloroglucinol;FT-0712875;2?,4?,6?-Trihydroxy-4-methoxydihydrochalcone;4-METHOXY-2,4,6-TRIHYDROXYDIHYDROCHALCONE;1-(2,4,6-Trihydroxyphenyl)-3-(4-methoxyphenyl)-1-propanone

Chemical Property of 3-(4-Methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one

Chemical Property:

• Vapor Pressure: 1.06E-10mmHg at 25°C
• Boiling Point: 502°C at 760 mmHg
• Flash Point: 187.5°C
• PSA: 86.99000
• Density: 1.325g/cm³
• LogP: 2.62750
• XLogP3: 3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 288.09977361
• Heavy Atom Count: 21
• Complexity: 326

Purity/Quality:

99% ^*data from raw suppliers

4-Methoxy-2',4',6'-trihydroxydihydrochalcone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)O)O

Technology Process of 3-(4-Methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one

There total 17 articles about 3-(4-Methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-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: 97.0%

(E)-3-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one (137225-57-1) → 3-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one (76172-68-4)

Guidance literature:

With triethylsilane; palladium 10% on activated carbon; In methanol; ethyl acetate; at 20 ℃; for 0.166667h;

DOI:10.1021/acs.jmedchem.6b01134

Reference yield: 96.0%

1-(2,4-bisbenzyloxy-6-hydroxyphenyl)-3-(4-methoxyphenyl)prop2-en-1-one → 3-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one (76172-68-4)

Guidance literature:

With palladium on activated charcoal; hydrogen; In tetrahydrofuran; at 20 ℃; for 16h; under 760.051 Torr;

DOI:10.1016/j.bmcl.2017.01.086

Reference yield: 96.0%

(E)-1-[2,4-bis(benzyloxy)-6-hydroxyphenyl]-3-(4-methoxyphenyl)prop-2-en-1-one → 3-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one (76172-68-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; at 20 ℃; for 16h; under 760.051 Torr; Inert atmosphere;

DOI:10.1021/acs.jnatprod.0c00830

upstream raw materials:

3,5-dihydroxyphenol

(E)-3-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one

5,7-dihydroxy-2-(4-methoxyphenyl)chroman-4-one

2'-hydroxy-4',6'-bis(methoxymethoxy)acetophenone