Davidigenin

Base Information

• Chemical Name: Davidigenin
• CAS No.: 23130-26-9
• Molecular Formula: C15H14 O4
• Molecular Weight: 258.274
• Hs Code.: 2914501900
• UNII: OML9B432G4
• DSSTox Substance ID: DTXSID60331802
• Nikkaji Number: J23.023E
• Wikidata: Q27103244
• Metabolomics Workbench ID: 26927
• ChEMBL ID: CHEMBL192877
• Mol file: 23130-26-9.mol

Synonyms:davidigenin

Chemical Property of Davidigenin

Chemical Property:

• Vapor Pressure: 1.64E-11mmHg at 25°C
• Boiling Point: 521.9°Cat760mmHg
• Flash Point: 283.5°C
• PSA: 77.76000
• Density: 1.334g/cm³
• LogP: 2.61890
• XLogP3: 3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 258.08920892
• Heavy Atom Count: 19
• Complexity: 297

Purity/Quality:

99% ^*data from raw suppliers

2',4'-DIHYDROXY-3-(PARA-HYDROXYPHENYL)-PROPIOPHENONE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2)O)O)O

Technology Process of Davidigenin

There total 14 articles about Davidigenin 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%

isoliquirtigenin (961-29-5,13745-20-5) → davidigenin (23130-26-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 3h; under 760.051 Torr;

DOI:10.1016/j.jep.2010.05.017

Reference yield: 90.0%

2',4,4'-trihydroxychalcone (13745-20-5) → davidigenin (23130-26-9)

Guidance literature:

With formic acid; In toluene; at 120 ℃; for 20h; chemoselective reaction; Inert atmosphere;

DOI:10.1016/j.catcom.2018.11.017

Reference yield: 86.7%

1-[2,4-bis(methoxymethoxy)phenyl]-3-(4-methoxymethoxyphenyl)-1-propanone → davidigenin (23130-26-9)

Guidance literature:

With hydrogenchloride; sodium hydrogencarbonate; In methanol;

upstream raw materials:

2',4,4'-trihydroxychalcone

4'-β-O-D-glucopyranosyl-4,2',4'-trihydroxydihydrochalcone

isoliquirtigenin

4-hydroxyphenylpropionic acid

Downstream raw materials:

7-hydroxy-3-[(4-hydroxyphenyl)methyl]-4H-chromen-4-one

4,4'-dihydroxy-dihydrochalcone-2'-O-β-D-glucopyranoside

4'-β-O-D-glucopyranosyl-4,2',4'-trihydroxydihydrochalcone

schoepfin A