4'-Fluorobiphenyl-4-sulfonyl chloride

Base Information

• Chemical Name: 4'-Fluorobiphenyl-4-sulfonyl chloride
• CAS No.: 116748-66-4
• Molecular Formula: C12H8ClFO2S
• Molecular Weight: 270.712
• Hs Code.: 2904909090
• European Community (EC) Number: 673-507-3
• DSSTox Substance ID: DTXSID50383375
• Wikidata: Q72479409
• Mol file: 116748-66-4.mol

Synonyms:116748-66-4;4'-Fluorobiphenyl-4-sulfonyl chloride;4-(4-fluorophenyl)benzenesulfonyl Chloride;4'-fluoro-[1,1'-biphenyl]-4-sulfonyl chloride;4/'-FLUORO[1,1/'-BIPHENYL]-4-SULFONYL CHLORIDE;4'-fluoro[1,1'-biphenyl]-4-sulfonyl chloride;4'-Fluoro-Biphenyl-4-Sulfonyl Chloride;4'-Fluoro-1,1'-biphenyl-4-sulfonyl chloride;OXYMETAZOLINEHCL;SCHEMBL995471;DTXSID50383375;CIDMHDJTWVMBIF-UHFFFAOYSA-N;4'-Fluorobiphenyl-4-sulfonylchloride;AR2093;BBL029431;MFCD01631921;STL146790;4'-fluoro-4-biphenylsulfonyl chloride;AKOS000813774;4/'-Fluorobiphenyl-4-sulfonyl chloride;4\'-Fluorobiphenyl-4-sulfonyl chloride;4'-(fluoro)biphenyl-4-sulfonyl chloride;AS-45269;4'-Fluorobiphenyl-4-sulfonyl chloride, 95%;CS-0075923;FT-0642847;4'fluoro[1,1'-biphenyl]-4-sulfonyl chloride;4-(4-fluorophenyl)benzene-1-sulfonyl chloride;EN300-236118;A803664;F9995-0465

Chemical Property of 4'-Fluorobiphenyl-4-sulfonyl chloride

Chemical Property:

• Melting Point: 82 °C
• Boiling Point: 372.859 °C at 760 mmHg
• Flash Point: 179.299 °C
• PSA: 42.52000
• Density: 1.384 g/cm³
• LogP: 4.50100
• Sensitive.: Moisture Sensitive
• 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: 336

Purity/Quality:

98%,99%, ^*data from raw suppliers

4′-Fluorobiphenyl-4-sulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 14-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)Cl)F

Technology Process of 4'-Fluorobiphenyl-4-sulfonyl chloride

There total 2 articles about 4'-Fluorobiphenyl-4-sulfonyl 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:

4'-fluorobiphenyl-4-sulfonic acid (777056-02-7) → 4-(4’-fluorophenyl)benzene-1-sulfonyl chloride (116748-66-4)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; for 4h; Heating;

DOI:10.1021/jm051236m

Reference yield:

4-fluoro-biphenyl (324-74-3) → 4-(4’-fluorophenyl)benzene-1-sulfonyl chloride (116748-66-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 51 percent / chlorosulfonic acid / CHCl₃ / 4 h / 20 °C

2: thionyl chloride / DMF / 4 h / Heating

With chlorosulfonic acid; thionyl chloride; N,N-dimethyl-formamide; In chloroform;

DOI:10.1021/jm051236m

Reference yield: 100.0%

methyl 3-(aminomethyl)-5-fluorobenzoate (886732-31-6) + 4-(4’-fluorophenyl)benzene-1-sulfonyl chloride (116748-66-4) → 3-fluoro-5-[(4'-fluorobiphenyl-4-sulfonylamino)methyl]benzoic acid methyl ester

Guidance literature:

With dmap; In dichloromethane; at 20 ℃; for 16h;

upstream raw materials:

4'-fluorobiphenyl-4-sulfonic acid

4-fluoro-biphenyl

Downstream raw materials:

4'-Fluoro-biphenyl-4-sulfonic acid 2-formyl-phenyl ester

(S)-4-(4'-Fluoro-biphenyl-4-sulfonyl)-2,2-dimethyl-[1,4]thiazepane-3-carboxylic acid

C₆₄H₅₈F₂N₄O₆S₂

1-(4'-fluorobiphenyl-4-sulfonylamino) cyclopentanecarboxylic acid benzyl ester

Refernces

• 1、 Greig, Iain R.,Idris, Aymen I.,Ralston, Stuart H.,Van't Hof, Rob J.. "Development and characterization of biphenylsulfonamides as novel inhibitors of bone resorption". . p. 7487 - 7492. Retrieved 2007/10/03.