2-Fluorophenyl methyl sulfone

Base Information

• Chemical Name: 2-Fluorophenyl methyl sulfone
• CAS No.: 654-47-7
• Molecular Formula: C7H7FO2S
• Molecular Weight: 174.196
• Hs Code.: 2904909090
• European Community (EC) Number: 624-165-9
• DSSTox Substance ID: DTXSID50984008
• Wikidata: Q72476234
• Mol file: 654-47-7.mol

Synonyms:654-47-7;1-Fluoro-2-(methylsulfonyl)benzene;2-Fluorophenyl methyl sulfone;2-Fluorophenylmethylsulfone;1-fluoro-2-methylsulfonylbenzene;1-fluoro-2-methanesulfonylbenzene;2-fluorophenyl methyl sulphone;2-fluoro-1-(methylsulfonyl)benzene;2-Fluorophenylmethyl sulfone;SCHEMBL514170;DTXSID50984008;DRQGZMZPKOYPKW-UHFFFAOYSA-N;HMS1781K02;1-Fluoro-2-(methanesulfonyl)benzene;2-Fluorophenyl methyl sulfone, 97%;MFCD03094199;AKOS001178123;PS-8628;CS-0191253;EN300-15321;E89664;(2-Fluorophenyl)(methyl)dioxo-lambda~6~-sulfane;Z126944608

Chemical Property of 2-Fluorophenyl methyl sulfone

Chemical Property:

• Vapor Pressure: 0.00157mmHg at 25°C
• Melting Point: 51-53 °C
• Refractive Index: 1.507
• Boiling Point: 304.5 °C at 760 mmHg
• Flash Point: 138 °C
• PSA: 42.52000
• Density: 1.286 g/cm³
• LogP: 2.31000
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 174.01507880
• Heavy Atom Count: 11
• Complexity: 217

Purity/Quality:

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

2-Fluorophenyl methyl sulfone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=CC=C1F
• Uses: 2-Fluorophenyl Methyl Sulfone is used as a reagent in the synthesis of thiazolyl benzamides as novel allosteric glucokinase activators.

Technology Process of 2-Fluorophenyl methyl sulfone

There total 4 articles about 2-Fluorophenyl methyl 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:

fluorobenzene (462-06-6) + methanesulfonyl chloride (124-63-0) → 1-(methylsufonyl)-4-fluorobenzene (455-15-2) + 1-fluoro-2-(methylsulfonyl)benzene (654-47-7)

Guidance literature:

With trifluorormethanesulfonic acid; antimony(III) chloride; at 105 ℃; for 72h;

DOI:10.1002/ejoc.200400369

Reference yield:

fluorobenzene (462-06-6) + Methanesulfonic anhydride (7143-01-3) → 1-(methylsufonyl)-4-fluorobenzene (455-15-2) + 1-fluoro-3-(methylsulfonyl)benzene (657-46-5) + 1-fluoro-2-(methylsulfonyl)benzene (654-47-7)

Guidance literature:

With zeolite Hβ; In toluene; for 18h; Title compound not separated from byproducts; Heating;

DOI:10.1039/b409922b

Reference yield:

methylphenylsulfonate (3112-85-4) → 1-fluoro-3-(methylsulfonyl)benzene (657-46-5) + 1-fluoro-2-(methylsulfonyl)benzene (654-47-7) + methyl 3,3,6,6-tetrafluoro-1,4-cyclohexadienyl sulfone

Guidance literature:

With potassium fluoride; hydrogen fluoride; In diethyl ether; acetone; at 5 ℃; for 14h; Electrochemical reaction;

DOI:10.1023/A:1022596219833

upstream raw materials:

methylphenylsulfonate

fluorobenzene

methanesulfonyl chloride

Methanesulfonic anhydride

Downstream raw materials:

2-hydroxyphenyl methyl sulfone

C₁₉H₁₆N₄O₃S₂

BOC-(S)-3-[(R)-(2-methanesulfonylphenoxy)phenylmethyl]pyrrolidine

C₇H₆ClFO₄S₂

Refernces

• 1、 Peyronneau, Magali,Boisdon, Marie-Therese,Roques, Nicolas,Mazieres, Stephane,Le Roux, Christophe. "Total Synergistic effect between triflic acid and bismuth(IIIr antimony(III) chlorides in catalysis of the Methanesulfonylation of Arenes". . p. 4636 - 4640. Retrieved 2007/10/03.
• 2、 -. "Alkyl aryl sulfones and method of preparing the same". . . Retrieved 2008/06/13.