2(5H)-Furanone, 3-(4-fluorophenyl)-4-[4-(methylsulfonyl)phenyl]-

Base Information

• Chemical Name: 2(5H)-Furanone, 3-(4-fluorophenyl)-4-[4-(methylsulfonyl)phenyl]-
• CAS No.: 157672-00-9
• Molecular Formula: C17H13FO4S
• Molecular Weight: 332.352
• DSSTox Substance ID: DTXSID30445541
• Nikkaji Number: J1.118.264J
• Wikidata: Q82263993
• Pharos Ligand ID: C2CDVGN6GHBA
• ChEMBL ID: CHEMBL51434
• Mol file: 157672-00-9.mol

Synonyms:157672-00-9;3-(4-fluorophenyl)-4-(4-(methylsulfonyl)phenyl)furan-2(5H)-one;2(5H)-Furanone, 3-(4-fluorophenyl)-4-[4-(methylsulfonyl)phenyl]-;CHEMBL51434;4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;C17H13FO4S;SCHEMBL3873376;DTXSID30445541;ZRCURVJXQGLLOZ-UHFFFAOYSA-N;BDBM50078683;AKOS037646966;AS-71741;CS-0047384;W16428;3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-5H-furan-2-one;3-(4-Fluorophenyl)-4-(4-(methylsulfonyl)phenvl)-2-(5H)-furanone;3-(4-Fluorophenyl)-4-(4-(methylsulfonyl)phenyl)-2-(5H)-furanone;3-(4-fluorophenyl)-4-[4-(methylsulfonyl) phenyl]furan-2(5h)-one;3-(4-fluorophenyl)-4-[4-(methylsulfonyl)phenyl]-5H-furan-2-one;3-(4-fluorophenyl)-4-(4-methanesulfonylphenyl)-2,5-dihydrofuran-2-one;3-(4-Fluorophenyl)-4-[4-(methylsulfonyl)phenyl]-2,5-dihydrofuran-2-one

Chemical Property of 2(5H)-Furanone, 3-(4-fluorophenyl)-4-[4-(methylsulfonyl)phenyl]-

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 332.05185823
• Heavy Atom Count: 23
• Complexity: 589

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=C(C=C3)F

Technology Process of 2(5H)-Furanone, 3-(4-fluorophenyl)-4-[4-(methylsulfonyl)phenyl]-

There total 13 articles about 2(5H)-Furanone, 3-(4-fluorophenyl)-4-[4-(methylsulfonyl)phenyl]- 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: 94.0%

2-(4-fluorophenyl)-1-[2-[4-(methylsulfonyl)phenyl]-2-oxoethoxy]ethanone (157671-99-3) → 3-(4-fluorophenyl)-4-<4-(methylsulfonyl)phenyl>-5H-furan-2-one (157672-00-9)

Guidance literature:

With 4 A molecular sieve; toluene-4-sulfonic acid; triethylamine; In acetonitrile; for 16h; Heating;

DOI:10.1021/jm950664x

Reference yield: 73.0%

2-bromo-1-(4-methanesulfonylphenyl)ethanone (50413-24-6) + p-Fluorophenylacetic acid (405-50-5) → 3-(4-fluorophenyl)-4-<4-(methylsulfonyl)phenyl>-5H-furan-2-one (157672-00-9)

Guidance literature:

p-Fluorophenylacetic acid; With sodium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

2-bromo-1-(4-methanesulfonylphenyl)ethanone; In N,N-dimethyl-formamide; for 1h;

With diisopropylamine; In N,N-dimethyl-formamide; at 60 ℃; for 4h;

DOI:10.1016/j.ejmech.2013.04.062

Reference yield:

triethylamine (121-44-8) + 2-bromo-1-(4-methanesulfonylphenyl)ethanone (50413-24-6) + p-Fluorophenylacetic acid (405-50-5) → 3-(4-fluorophenyl)-4-<4-(methylsulfonyl)phenyl>-5H-furan-2-one (157672-00-9)

Guidance literature:

With hydrogenchloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In hexane; ethyl acetate; acetonitrile;

upstream raw materials:

2-(4-fluorophenyl)-1-[2-[4-(methylsulfonyl)phenyl]-2-oxoethoxy]ethanone

4-fluoro-1-iodobenzene

1-iodo-4-(methylsulfonyl)benzene

4-iodothioanisole

Downstream raw materials:

2-(4-fluorophenyl)-3-<4-(methylsulfonyl)phenyl>-1,4-dihydroxy-2-butene

3-(4-fluoro-phenyl)-5-hydroxy-4-(4-methanesulfonyl-phenyl)-5H-furan-2-one

4-(4-Fluorophenyl)-5-[4-(methylsulfonyl)phenyl]-2-hydropyridazin-3-one

1-<2-(4-fluorophenyl)-4,4-bis(hydroxymethyl)cyclopenten-1-yl>-4-(methylsulfonl)benzene

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