Flavokawin A

Base Information

• Chemical Name: Flavokawin A
• CAS No.: 3791-75-1
• Molecular Formula: C18H20O5
• Molecular Weight: 316.354
• NSC Number: 112156
• DSSTox Substance ID: DTXSID50296850
• Nikkaji Number: J1.465.024E
• Wikidata: Q82037642
• Metabolomics Workbench ID: 27025
• ChEMBL ID: CHEMBL523190
• Mol file: 3791-75-1.mol

Synonyms:Flavokawin A;3791-75-1;Flavokawine A;1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)propan-1-one;1-(2-hydroxy-4,6-dimethoxy-phenyl)-3-(4-methoxyphenyl)propan-1-one;2'-Hydroxy-4,4',6'-trimethoxydihydrochalcone;1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-propanone;NSC112156;CHEMBL523190;SCHEMBL2282039;DTXSID50296850;KGFYDIZALLKOLQ-UHFFFAOYSA-N;LMPK12120550;NSC-112156;1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1propanone

Chemical Property of Flavokawin A

Chemical Property:

• Vapor Pressure: 5.12E-11mmHg at 25°C
• Boiling Point: 509.9°Cat760mmHg
• Flash Point: 184°C
• Density: 1.177g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 316.13107373
• Heavy Atom Count: 23
• Complexity: 364

Purity/Quality:

95% ^*data from raw 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=C2OC)OC)O

Technology Process of Flavokawin A

There total 24 articles about Flavokawin A 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%

2'-hydroxy-4,4',6'-trimethoxychalcone (3420-72-2,37951-13-6,64680-84-8) → 2'-hydroxy-4,4',6'-trimethoxydihydrochalcone (3791-75-1)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In tetrahydrofuran; methanol; at 20 ℃; for 0.65h;

Reference yield: 98.0%

flavokawain A (3420-72-2) → 2'-hydroxy-4,4',6'-trimethoxydihydrochalcone (3791-75-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate;

DOI:10.1016/S0040-4039(00)97181-8

Reference yield: 80.0%

3-(4-Hydroxy-phenyl)-1-(2,4,6-trihydroxy-phenyl)-propan-1-on (60-82-2) + dimethyl sulfate (77-78-1) → 2'-hydroxy-4,4',6'-trimethoxydihydrochalcone (3791-75-1)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 3h;

DOI:10.3390/molecules191016447

upstream raw materials:

methanol

3-(4-Hydroxy-phenyl)-1-(2,4,6-trihydroxy-phenyl)-propan-1-on

flavokawain A

2'-hydroxy-4,4',6'-trimethoxychalcone

Downstream raw materials:

rac-5,7-dimethoxy-3-(4-methoxybenzyl)-chroman-4-one

4,4',6',4'',4''',6'''-Hexamethoxy-2'',2'''-bi(dihydrochalconyloxy)methane

4',5,7-trimethoxyflavone

3-(4-methyloxybenzyl)-5,7-dimethoxychromen-4-one

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