4-Fluorophenyl methyl sulfone

Base Information

• Chemical Name: 4-Fluorophenyl methyl sulfone
• CAS No.: 455-15-2
• Molecular Formula: C7H7FO2S
• Molecular Weight: 174.196
• Hs Code.: 29309090
• European Community (EC) Number: 207-237-0
• NSC Number: 226256
• UNII: 8Z2TY4MZF4
• DSSTox Substance ID: DTXSID80196531
• Nikkaji Number: J124.118D
• Wikidata: Q72476239
• Mol file: 455-15-2.mol

Synonyms:4-Fluorophenyl methyl sulfone;455-15-2;1-Fluoro-4-(methylsulfonyl)benzene;Benzene, 1-fluoro-4-(methylsulfonyl)-;1-Fluoro-4-(methylsulphonyl)benzene;1-fluoro-4-methylsulfonylbenzene;4-Fluorophenylmethylsulfone;1-fluoro-4-methanesulfonylbenzene;4-fluorophenyl methyl sulphone;Sulfone, p-fluorophenyl methyl;8Z2TY4MZF4;methyl 4-fluorophenyl sulfone;EINECS 207-237-0;MFCD00039753;NSC-226256;1-fluoro-4-methylsulfonyl-benzene;NSC226256;UNII-8Z2TY4MZF4;4-fluorophenyl-methylsulfone;4-flurophenyl methyl sulfone;p-fluorophenyl methyl sulfone;SCHEMBL444872;4-fluoro-methanesulfonylbenzene;(4-fluorophenyl)methyl sulfone;DTXSID80196531;HMS1729A15;1-Fluoro-4-methanesulfonyl-benzene;1-Fluoro-4-(methylsulfonyl)-benzene;4-Fluorophenyl methyl sulfone, 97%;1-Fluoro-4-(methylsulfonyl)benzene #;AKOS001121819;CS-W002183;DS-2855;NSC 226256;PS-8627;Benzene, 1-fluoro-4-(methylsulphonyl)-;AC-16492;AM803929;BP-11605;SY013818;(4-fluorophenyl)(methyl)dioxo-lambda-sulfane;F0651;FT-0618555;EN300-18243;J-515415;Z57475486;55-15-2

Chemical Property of 4-Fluorophenyl methyl sulfone

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 0.00261mmHg at 25°C
• Melting Point: 78-81 °C(lit.)
• Refractive Index: 1.507
• Boiling Point: 295.9 °C at 760 mmHg
• Flash Point: 132.8 °C
• PSA: 42.52000
• Density: 1.286 g/cm³
• LogP: 2.31000
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Dichloromethane, Dimethyl Sulfoxide, Methanol
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 174.01507880
• Heavy Atom Count: 11
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

4-Fluorophenyl Methyl Sulfone >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=C(C=C1)F
• Uses: 4-Fluorophenyl methyl sulfone is used for preparation of substituted indazole amides as glucokinase activators. 4-Fluorophenyl methyl sulfone was used in the preparation of 4-(4′-trifluoromethoxyphenoxy)phenyl methyl sulfone.

Technology Process of 4-Fluorophenyl methyl sulfone

There total 44 articles about 4-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: 99.0%

p-fluorothioanisole (371-15-3) → 1-(methylsufonyl)-4-fluorobenzene (455-15-2)

Guidance literature:

With oxone; diethylamine; In water; acetonitrile; at 20 ℃; for 0.0833333h;

DOI:10.1007/s11164-017-3026-0

Reference yield: 99.0%

4-methanesulfonyl-phenol (14763-60-1) → 1-(methylsufonyl)-4-fluorobenzene (455-15-2)

Guidance literature:

With Cl^(1-)*C₂₇H₃₆ClN₂⁽¹⁺⁾*Cs⁽¹⁺⁾*F^(1-); In toluene; at 23 - 110 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ol5035518

Reference yield: 97.0%

fluorobenzene (462-06-6) → 1-(methylsufonyl)-4-fluorobenzene (455-15-2)

Guidance literature:

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

upstream raw materials:

fluorobenzene

p-fluorothioanisole

methanesulfonyl chloride

4-fluorophenyl methyl sulfoxide

Downstream raw materials:

1-fluoro-4-methanesulfonyl-2-nitrobenzene

C₁₃H₁₁ClO₃S

Bicalutamide

1-[4-(methylsulfonyl)phenyl]-1H-imidazole

Refernces

• 1、 Lee, Sunwoo,Park, Jin Kyu. "Sulfoxide and Sulfone Synthesis via Electrochemical Oxidation of Sulfides". . p. 13790 - 13799. Retrieved 2021/10/12.
• 2、 Amri, Nasser,Wirth, Thomas. "Flow Electrosynthesis of Sulfoxides, Sulfones, and Sulfoximines without Supporting Electrolytes". . p. 15961 - 15972. Retrieved 2021/07/20.