8-Demethyleucalyptin

Base Information

• Chemical Name: 8-Demethyleucalyptin
• CAS No.: 5689-38-3
• Molecular Formula: C18H16O5
• Molecular Weight: 312.322
• Hs Code.: 2914509090
• ChEMBL ID: CHEMBL4776588
• DSSTox Substance ID: DTXSID301315116
• Metabolomics Workbench ID: 24110
• Nikkaji Number: J94.484J
• Wikidata: Q72461968
• Mol file: 5689-38-3.mol

Synonyms:8-Demethyleucalyptin;5689-38-3;8-Desmethyleucalyptin;5-Hydroxy-7,4'-dimethoxy-6-methylflavone;5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one;Pabalate;5-Hydroxy-4',7-dimethoxy-6-methylflavone;5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methyl-4h-chromen-4-one;NaSal;Natium salicylicum;Salicylic Acid, Na;Sodium Salicylate [USAN];CHEMBL4776588;Sodium salicylate (JP15/USP);CHEBI:174987;DTXSID301315116;LMPK12111027;AKOS032962118;FS-10026;5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methyl-4H-1-benzopyran-4-one

Chemical Property of 8-Demethyleucalyptin

Chemical Property:

• PSA: 68.90000
• LogP: 3.49120
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 312.09977361
• Heavy Atom Count: 23
• Complexity: 466

Purity/Quality:

98%min ^*data from raw suppliers

8-Demethyleucalyptin ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)OC)OC

Technology Process of 8-Demethyleucalyptin

There total 10 articles about 8-Demethyleucalyptin 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:

5-hydroxy-7-methoxy-2-(4-methoxy-phenyl)-6-methyl-chroman-4-one (21568-23-0) → 5-hydroxy-6-methyl-7,4'-dimethoxyflavone (5689-38-3)

Guidance literature:

With selenium(IV) oxide; acetic anhydride;

Reference yield:

6-chloromethyl-5-hydroxy-7-methoxy-2-(4-methoxy-phenyl)-chromen-4-one (742097-95-6) → 5-hydroxy-6-methyl-7,4'-dimethoxyflavone (5689-38-3)

Guidance literature:

With palladium on activated charcoal; acetic acid; Hydrogenation;

Reference yield:

2,4,6-trihydroxy-3-methyl-acetophenon (2657-28-5) → 5-hydroxy-6-methyl-7,4'-dimethoxyflavone (5689-38-3)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; acetone / Erwaermen des Reaktionsprodukts mit Natriumcarbonat und wss. Aethanol

2: acetone; potassium carbonate

With potassium carbonate; acetone;

upstream raw materials:

5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

sodium methylate

methyl iodide

methanol

Downstream raw materials:

1-(6-hydroxy-2,4-dimethoxy-3-methyl-phenyl)-3-(4-methoxy-phenyl)-propane-1,3-dione

5,7-dimethoxy-2-(4-methoxy-phenyl)-6-methyl-chromen-4-one