3-(4-fluorophenyl)benzenesulfonyl Chloride

Base Information

• Chemical Name: 3-(4-fluorophenyl)benzenesulfonyl Chloride
• CAS No.: 861248-58-0
• Molecular Formula: C₁₂H₈ClFO₂S
• Molecular Weight: 270.712
• DSSTox Substance ID: DTXSID00409195
• Wikidata: Q82214916

Synonyms:3-(4-fluorophenyl)benzenesulfonyl Chloride;861248-58-0;4'-Fluoro-[1,1'-biphenyl]-3-sulfonyl chloride;4'-Fluoro-biphenyl-3-sulfonyl-chloride;[3-(4-fluorophenyl)phenyl]sulfonyl chloride;4'-Fluoro-[1,1'-biphenyl]-3-sulfonylchloride;C12H8ClFO2S;3-(4-Fluorophenyl)Benzene-1-Sulfonyl Chloride;SCHEMBL788244;DTXSID00409195;BBTKFJNSQWKALJ-UHFFFAOYSA-N;AR1685;MFCD01631885;4'fluorobiphenyl-3-sulphonyl chloride;AKOS004116584;4'-fluorobiphenyl-3-sulphonyl chloride;4'-fluoro-biphenyl-3-sulfonyl chloride;AS-45186;[3-(4-fluorophenyl)phenyl]sulfonylchloride;CS-0171141;A917653;[3-(4-fluorophenyl)phenyl]sulfonylchloride, AldrichCPR

Chemical Property of 3-(4-fluorophenyl)benzenesulfonyl Chloride

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 269.9917565
• Heavy Atom Count: 17
• Complexity: 344

Purity/Quality:

97% ^*data from raw suppliers

4'-Fluoro-[1,1'-biphenyl]-3-sulfonylchloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)Cl)C2=CC=C(C=C2)F

Technology Process of 3-(4-fluorophenyl)benzenesulfonyl Chloride

There total 1 articles about 3-(4-fluorophenyl)benzenesulfonyl Chloride 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: 66.74%

4'-fluorobiphenyl-3-sulfonic acid → 4'-fluorobiphenyl-3-sulphonyl chloride (861248-58-0)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; for 6h; Reagent/catalyst; Reflux;

Reference yield: 75.0%

4'-fluorobiphenyl-3-sulphonyl chloride (861248-58-0) + N-(1-cyanocyclopropyl)-L-leucinamide → (4'-fluorobiphenyl-3-yl)sulfonyl-(S)-leucylaminocyclopropane nitrile

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.bmcl.2020.127420

Reference yield: 53.0%

4'-fluorobiphenyl-3-sulphonyl chloride (861248-58-0) + C15H21N3O → (4'-fluorobiphenyl-3-yl)sulfonyl-(S)-leucylphenylalanine nitrile

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.bmcl.2020.127420

Downstream raw materials:

4'-fluoro-biphenyl-3-sulfonic acid (4-benzoyl-phenyl)-amide

4'-fluorobiphenyl-3-sulphonic acid N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-(4-nitrophenyl)amide

{3-[N-(4'-fluorobiphenyl-3-sulphonyl)-N-methylamino]phenyl}carbamic acid tert-butyl ester

C₃₁H₂₉F₄N₅O₆S

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