2-(4-Methoxyphenyl)-4-oxo-4H-1-benzopyran-3,5,7-triyl triacetate

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)-4-oxo-4H-1-benzopyran-3,5,7-triyl triacetate
• CAS No.: 38681-32-2
• Molecular Formula: C22H18O9
• Molecular Weight: 426.38
• DSSTox Substance ID: DTXSID00579726
• Nikkaji Number: J495.679F
• Wikidata: Q82470334
• Mol file: 38681-32-2.mol

Synonyms:38681-32-2;2-(4-Methoxyphenyl)-4-oxo-4H-chromene-3,5,7-triyl triacetate;5,7-bis(acetyloxy)-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl acetate;DTXSID00579726;2-(4-Methoxyphenyl)-4-oxo-4H-1-benzopyran-3,5,7-triyl triacetate

Chemical Property of 2-(4-Methoxyphenyl)-4-oxo-4H-1-benzopyran-3,5,7-triyl triacetate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 426.09508215
• Heavy Atom Count: 31
• Complexity: 763

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)OC(=O)C

Technology Process of 2-(4-Methoxyphenyl)-4-oxo-4H-1-benzopyran-3,5,7-triyl triacetate

There total 2 articles about 2-(4-Methoxyphenyl)-4-oxo-4H-1-benzopyran-3,5,7-triyl triacetate 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:

kaempferide 3-O-β-D-galactopyranoside → kaempferide triacetate (38681-32-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 7 percent H₂SO₄ / H₂O / 3 h / Heating

2: pyridine / 48 h / Ambient temperature

With pyridine; sulfuric acid; In water;

DOI:10.1016/0031-9422(81)85122-9

Reference yield:

acetic anhydride (108-24-7) → kaempferide triacetate (38681-32-2)

Guidance literature:

Reference yield:

kaempferide triacetate (38681-32-2) → 3,5-Diacetoxy-7-hydroxy-4'-methoxyflavone (143667-86-1)

Guidance literature:

With 1H-imidazole; thiophenol; In 1-methyl-pyrrolidin-2-one; at 0 ℃; regioselective reaction;

DOI:10.1016/j.bmcl.2010.08.012

upstream raw materials:

acetic anhydride

Downstream raw materials:

3-Acetoxy-5,7-dihydroxy-4'-methoxyflavone

3,5-Diacetoxy-7-hydroxy-4'-methoxyflavone