4'-Fluoro-2-hydroxy-4-methoxybenzophenone

Base Information

• Chemical Name: 4'-Fluoro-2-hydroxy-4-methoxybenzophenone
• CAS No.: 3602-47-9
• Molecular Formula: C14H11 F O3
• Molecular Weight: 246.238
• Hs Code.: 2914700090
• European Community (EC) Number: 222-756-2
• UNII: 6PY4LF5XKJ
• DSSTox Substance ID: DTXSID10189592
• Nikkaji Number: J205.530I
• Wikidata: Q83061743
• Mol file: 3602-47-9.mol

Synonyms:3602-47-9;4'-Fluoro-2-hydroxy-4-methoxybenzophenone;(4-fluorophenyl)(2-hydroxy-4-methoxyphenyl)methanone;4-FLUORO-2'-HYDROXY-4'-METHOXYBENZOPHENONE;EINECS 222-756-2;C14H11FO3;6PY4LF5XKJ;SCHEMBL3638432;DTXSID10189592;C14-H11-F-O3;4'-fluoro-2-hydroxy-4-methoxy-benzophenone;4-FLUORO-2-HYDROXY-4-METHOXYBENZOPHENONE;Methanone, (4-fluorophenyl)(2-hydroxy-4-methoxyphenyl)-;(4-Fluoro-phenyl)-(2-hydroxy-4-methoxy-phenyl)-methanone

Chemical Property of 4'-Fluoro-2-hydroxy-4-methoxybenzophenone

Chemical Property:

• Melting Point: 88–89°C
• Boiling Point: 376.7°Cat760mmHg
• Flash Point: 181.6°C
• PSA: 46.53000
• Density: 1.267g/cm³
• LogP: 2.77090
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 246.06922237
• Heavy Atom Count: 18
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

4-FLUORO-2'-HYDROXY-4'-METHOXYBENZOPHENONE 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)C2=CC=C(C=C2)F)O

Technology Process of 4'-Fluoro-2-hydroxy-4-methoxybenzophenone

There total 2 articles about 4'-Fluoro-2-hydroxy-4-methoxybenzophenone 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: 53.0%

O-methylresorcine (150-19-6) + 4-fluorobenzaldehyde (459-57-4) → 4'-fluoro-2-hydroxy-4-methoxybenzophenone (3602-47-9)

Guidance literature:

With [(C₆H₆)(PCy₃)(CO)RuH]⁺*BF₄^?; potassium carbonate; triphenylphosphine; In chlorobenzene; at 110 ℃; for 12h; regioselective reaction; Schlenk technique;

DOI:10.1002/ejoc.201403518

Reference yield:

2,4-dimethoxy-4'-fluorobenzophenone (7359-15-1) → 4'-fluoro-2-hydroxy-4-methoxybenzophenone (3602-47-9)

Guidance literature:

2,4-dimethoxy-4'-fluorobenzophenone; With aluminum (III) chloride; sodium iodide; In acetonitrile; at 80 ℃; for 1.5h;

With water; In acetonitrile; at 0 ℃;

upstream raw materials:

2,4-dimethoxy-4'-fluorobenzophenone

O-methylresorcine

4-fluorobenzaldehyde

Refernces

• 1、 -. "BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES". Page/Page column 26. . Retrieved 2009/02/11.