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

Base Information

• Chemical Name: 2-(4-Fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone
• CAS No.: 128040-46-0
• Molecular Formula: C15H13FO3
• Molecular Weight: 260.265
• Hs Code.: 2914700090
• European Community (EC) Number: 650-972-0
• DSSTox Substance ID: DTXSID50391298
• Nikkaji Number: J1.191.743G
• Mol file: 128040-46-0.mol

Synonyms:2-(4-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone;128040-46-0;(2-Hydroxy-4-methoxyphenyl)(4-fluorobenzyl) ketone;Ethanone, 2-(4-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)-;Oprea1_342929;DTXSID50391298;MFCD02165395;AKOS022180194;1-(2-hydroxy-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone

Chemical Property of 2-(4-Fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone

Chemical Property:

• Melting Point: 90–92°C
• PSA: 46.53000
• LogP: 2.96530
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 260.08487243
• Heavy Atom Count: 19
• Complexity: 300

Purity/Quality:

97% ^*data from raw suppliers

2-(4-FLUOROPHENYL)-1-(2-HYDROXY-4-METHOXYPHENYL)ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C(=O)CC2=CC=C(C=C2)F)O

Technology Process of 2-(4-Fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone

There total 6 articles about 2-(4-Fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone 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: 90.0%

4'-fluoro-2,4-dihydroxydeoxybenzoin (15485-70-8) + dimethyl sulfate (77-78-1) → 1-(2-hydroxy-4-methoxyphenyl)-2-(4-fluorophenyl)-1-ethanone (128040-46-0)

Guidance literature:

With potassium carbonate; In acetone; for 6h; Heating;

DOI:10.1080/00397919908085910

Reference yield: 84.6%

methanol (67-56-1) + 4'-fluoro-2,4-dihydroxydeoxybenzoin (15485-70-8) → 1-(2-hydroxy-4-methoxyphenyl)-2-(4-fluorophenyl)-1-ethanone (128040-46-0)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 20 ℃; for 0.5h;

DOI:10.1016/j.ejmech.2017.09.015

Reference yield:

4-fluorophenylacetonitrile (459-22-3) → 1-(2-hydroxy-4-methoxyphenyl)-2-(4-fluorophenyl)-1-ethanone (128040-46-0)

Guidance literature:

Multi-step reaction with 3 steps

1: zinc chloride; HCl / diethyl ether

2: 17.2 g / H₂O / 1 h / Heating

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

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

DOI:10.1080/00397919908085910

upstream raw materials:

4'-fluoro-2,4-dihydroxydeoxybenzoin

dimethyl sulfate

4-fluorophenylacetonitrile

recorcinol