4-Fluorophenylstyryl sulfone

Base Information

• Chemical Name: 4-Fluorophenylstyryl sulfone
• CAS No.: 30166-85-9
• Molecular Formula: C14H11 F O2 S
• Molecular Weight: 262.305
• NSC Number: 140170
• DSSTox Substance ID: DTXSID80419252
• Nikkaji Number: J3.055.114A,J3.265.179H
• Wikidata: Q82230198
• Mol file: 30166-85-9.mol

Synonyms:NSC140170;30166-85-9;4-Fluorophenylstyryl sulfone;SCHEMBL7079953;DTXSID80419252;4-Fluorophenyl[(E)-styryl] sulfone;AKOS032949174;NSC-140170

Chemical Property of 4-Fluorophenylstyryl sulfone

Chemical Property:

• Vapor Pressure: 2.65E-07mmHg at 25°C
• Boiling Point: 433.2°Cat760mmHg
• Flash Point: 215.8°C
• Density: 1.284g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 262.04637893
• Heavy Atom Count: 18
• Complexity: 369

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CS(=O)(=O)C2=CC=C(C=C2)F
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/S(=O)(=O)C2=CC=C(C=C2)F

Technology Process of 4-Fluorophenylstyryl sulfone

There total 31 articles about 4-Fluorophenylstyryl sulfone 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: 98.0%

4-Fluorothiophenol (371-42-6) + phenylacetylene (536-74-3) → 1-fluoro-4-[(E)-2-phenylethenesulfonyl]benzene (30166-85-9)

Guidance literature:

With dihydrogen peroxide; ammonium chloride; In tetrahydrofuran; water; at 50 ℃; for 48h; optical yield given as %de; diastereoselective reaction;

DOI:10.1016/j.tetlet.2012.01.135

Reference yield: 95.6%

diethyl (((4-fluorophenyl)sulfonyl)methyl)phosphonate (111550-06-2) + benzaldehyde (100-52-7) → 1-fluoro-4-[(E)-2-phenylethenesulfonyl]benzene (30166-85-9)

Guidance literature:

diethyl (((4-fluorophenyl)sulfonyl)methyl)phosphonate; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1h; Schlenk technique; Inert atmosphere;

benzaldehyde; In tetrahydrofuran; at -78 - 20 ℃; for 1.5h; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.bioorg.2020.104520

Reference yield: 93.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 4-fluoro-N'-((4-fluorophenyl)sulfonyl)benzenesulfonohydrazide → 1-fluoro-4-[(E)-2-phenylethenesulfonyl]benzene (30166-85-9)

Guidance literature:

With N-iodo-succinimide; triethylamine; In tetrahydrofuran; at 20 ℃; for 0.0833333h;

DOI:10.1016/j.tet.2020.131019

upstream raw materials:

4-Fluorothiophenol

phenylacetylene

sodium 4-fluorobenzenesulfinate

[(E)-2-bromoethenyl]benzene

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