3-(4-Methoxyphenyl)-4-oxo-4h-chromen-7-yl acetate

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)-4-oxo-4h-chromen-7-yl acetate
• CAS No.: 13293-49-7
• Molecular Formula: C18H14O5
• Molecular Weight: 310.306
• DSSTox Substance ID: DTXSID10927870
• Wikidata: Q82902576
• Metabolomics Workbench ID: 136173
• ChEMBL ID: CHEMBL463063
• Mol file: 13293-49-7.mol

Synonyms:3-(4-methoxyphenyl)-4-oxo-4h-chromen-7-yl acetate;13293-49-7;[3-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate;7-(Acetyloxy)-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one;4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-methoxyphenyl)-;7-O-acetylformononetin;7-acetoxy-4'-methoxyisoflavone;CHEMBL463063;SCHEMBL2069145;DTXSID10927870;STK924360;AKOS002219975;NCGC00304240-01;XF161756;VU0510520-1;AB01300753-01;F3139-2717;3-(4-Methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl acetate

Chemical Property of 3-(4-Methoxyphenyl)-4-oxo-4h-chromen-7-yl acetate

Chemical Property:

• Vapor Pressure: 2.44E-09mmHg at 25°C
• Boiling Point: 479.1°Cat760mmHg
• Flash Point: 269.9°C
• Density: 1.288g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 310.08412354
• Heavy Atom Count: 23
• Complexity: 490

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)OC

Technology Process of 3-(4-Methoxyphenyl)-4-oxo-4h-chromen-7-yl acetate

There total 6 articles about 3-(4-Methoxyphenyl)-4-oxo-4h-chromen-7-yl acetate 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: 91.0%

Dihydroformononetin (4626-22-6) + acetic anhydride (108-24-7) → 3-(4-methoxyphenyl)-4-oxo-4H-chromene-7-yl acetate (13293-49-7)

Guidance literature:

With pyridine; at 105 - 110 ℃; for 1h;

Reference yield: 36.5%

7-Hydroxy-3-(4-methoxy-phenyl)-chromen-4-on (485-72-3) + acetyl chloride (75-36-5) → 3-(4-methoxyphenyl)-4-oxo-4H-chromene-7-yl acetate (13293-49-7)

Guidance literature:

With potassium carbonate; In dichloromethane; at 20 ℃;

Reference yield:

ononin (486-62-4) → 3-(4-methoxyphenyl)-4-oxo-4H-chromene-7-yl acetate (13293-49-7)

Guidance literature:

Multi-step reaction with 2 steps

1: conc. HCl

2: pyridine / 3 h

With hydrogenchloride; In pyridine;

DOI:10.1248/cpb.28.3686

upstream raw materials:

7-Hydroxy-3-(4-methoxy-phenyl)-chromen-4-on

acetic anhydride

ononin

Dihydroformononetin

Downstream raw materials:

7-acetoxy-3-(4-methoxy-phenyl)-chromene-4-thione