2-(3,4-Dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone

Base Information

• Chemical Name: 2-(3,4-Dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
• CAS No.: 53084-06-3
• Molecular Formula: C16H16O6
• Molecular Weight: 304.299
• DSSTox Substance ID: DTXSID50355532
• Wikidata: Q27208898
• ChEMBL ID: CHEMBL551196
• Mol file: 53084-06-3.mol

Synonyms:2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone;53084-06-3;SMR000135588;MLS000530610;Ethanone, 2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-;Opera_ID_731;Cambridge id 7112640;Oprea1_722105;CHEMBL551196;DTXSID50355532;CHEBI:120760;HMS2392K03;MFCD03266554;STK856112;AKOS000275877;2,4,6-Trihydroxy-3',4'-dimethoxydeoxybenzoin;SR-01000251542;SR-01000251542-1;Q27208898;F1190-0466

Chemical Property of 2-(3,4-Dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone

Chemical Property:

• Melting Point: 184–186°C
• PSA: 96.22000
• LogP: 2.24600
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 304.09468823
• Heavy Atom Count: 22
• Complexity: 362

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(3,4-Dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone

There total 3 articles about 2-(3,4-Dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone 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: 78.0%

3,5-dihydroxyphenol (108-73-6) + 3,4-dimethoxyphenylacetonitrile (93-17-4) → 2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-ethanone (53084-06-3)

Guidance literature:

3,5-dihydroxyphenol; 3,4-dimethoxyphenylacetonitrile; With hydrogenchloride; zinc(II) chloride; In diethyl ether; at 0 - 20 ℃;

With sulfuric acid; water; In diethyl ether; for 2h; Reflux;

DOI:10.1002/ejoc.201801171

Reference yield:

2-(3,4-Dimethoxy-phenyl)-4,6-dihydroxy-benzofuran-3-one (19858-40-3) → 2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-ethanone (53084-06-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

Reference yield:

(3,4-Dimethoxyphenyl)acetic acid (93-40-3) + 3,5-dihydroxyphenol (108-73-6) → 2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-ethanone (53084-06-3)

Guidance literature:

With boron trifluoride diethyl etherate; at 85 ℃; for 1.5h;

DOI:10.1002/ardp.201100279

upstream raw materials:

3,5-dihydroxyphenol

3,4-dimethoxyphenylacetonitrile

2-(3,4-Dimethoxy-phenyl)-4,6-dihydroxy-benzofuran-3-one

(3,4-Dimethoxyphenyl)acetic acid

Downstream raw materials:

3-(3,4-dimethoxy-phenyl)-4,5,7-trihydroxy-coumarin

2-(3,4-dimethoxy-phenyl)-1-(2-hydroxy-4,6-bis-methoxymethoxy-phenyl)-ethanone

3-(3,4-dimethoxyphenyl)-5,7-dihydroxy-2-methylchromen-4-one

4-acetoxy-3-(3,4-dimethoxy-phenyl)-5,7-dimethoxy-coumarin

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