7-Methoxy-4'-fluoro-2,3-dihydroisoflavone

Base Information

• Chemical Name: 7-Methoxy-4'-fluoro-2,3-dihydroisoflavone
• CAS No.: 128040-48-2
• Molecular Formula: C₁₆H₁₃FO₃
• Molecular Weight: 272.276
• DSSTox Substance ID: DTXSID801177141
• Nikkaji Number: J1.191.748H
• Mol file: 128040-48-2.mol

Synonyms:SCHEMBL22340138;DTXSID801177141;7-Methoxy-4'-fluoro-2,3-dihydroisoflavone;3-(4-Fluorophenyl)-2,3-dihydro-7-methoxy-4H-1-benzopyran-4-one;128040-48-2

Chemical Property of 7-Methoxy-4'-fluoro-2,3-dihydroisoflavone

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 272.08487243
• Heavy Atom Count: 20
• Complexity: 352

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C(=O)C(CO2)C3=CC=C(C=C3)F

Technology Process of 7-Methoxy-4'-fluoro-2,3-dihydroisoflavone

There total 3 articles about 7-Methoxy-4'-fluoro-2,3-dihydroisoflavone 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: 55.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-(2-hydroxy-4-methoxyphenyl)-2-(4-fluorophenyl)-1-ethanone (128040-46-0) → 4'-fluoro-7-methoxyisoflavanone (128040-48-2)

Guidance literature:

With dimethyl amine; In ethanol; for 3h; Heating;

Reference yield:

4-fluorophenylacetonitrile (459-22-3) → 4'-fluoro-7-methoxyisoflavanone (128040-48-2)

Guidance literature:

Multi-step reaction with 4 steps

1: zinc chloride; HCl / diethyl ether

2: 17.2 g / H₂O / 1 h / Heating

3: 90 percent / K₂CO₃ / acetone / 6 h / Heating

4: 65 percent / ethanol / 3 h / Heating

With hydrogenchloride; water; potassium carbonate; zinc(II) chloride; In diethyl ether; ethanol; acetone; 1: Addition / 2: Hydrolysis / 3: Methylation / 4: Cycloaddition;

DOI:10.1080/00397919908085910

Reference yield:

4-[2-(4-Fluoro-phenyl)-1-imino-ethyl]-benzene-1,3-diol; hydrochloride → 4'-fluoro-7-methoxyisoflavanone (128040-48-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 17.2 g / H₂O / 1 h / Heating

2: 90 percent / K₂CO₃ / acetone / 6 h / Heating

3: 65 percent / ethanol / 3 h / Heating

With water; potassium carbonate; In ethanol; acetone; 1: Hydrolysis / 2: Methylation / 3: Cycloaddition;

DOI:10.1080/00397919908085910

upstream raw materials:

formaldehyd

1-(2-hydroxy-4-methoxyphenyl)-2-(4-fluorophenyl)-1-ethanone

4-fluorophenylacetonitrile

Downstream raw materials:

4-(2-{4-[3-(4-Fluoro-phenyl)-7-methoxy-2H-chromen-4-yl]-phenoxy}-ethyl)-morpholine

1-(2-{4-[3-(4-Fluoro-phenyl)-7-methoxy-2H-chromen-4-yl]-phenoxy}-ethyl)-piperidine

3-(p-fluorophenyl)-7-methoxy-4-chrom-3-ene

Diethyl-(2-{4-[3-(4-fluoro-phenyl)-7-methoxy-2H-chromen-4-yl]-phenoxy}-ethyl)-amine