Sulfone, methyl pentafluorophenyl

Base Information

• Chemical Name: Sulfone, methyl pentafluorophenyl
• CAS No.: 651-85-4
• Molecular Formula: C7H3F5O2S
• Molecular Weight: 246.1545
• DSSTox Substance ID: DTXSID30215403
• Nikkaji Number: J1.603.388J
• Wikidata: Q83091453
• Mol file: 651-85-4.mol

Synonyms:Sulfone, methyl pentafluorophenyl;651-85-4;1,2,3,4,5-pentafluoro-6-methylsulfonylbenzene;C7H3F5O2S;SCHEMBL777917;Methyl(pentafluorophenyl) sulfone;DTXSID30215403;C7-H3-F5-O2-S

Chemical Property of Sulfone, methyl pentafluorophenyl

Chemical Property:

• Vapor Pressure: 0.00565mmHg at 25°C
• Boiling Point: 282.7°C at 760 mmHg
• Flash Point: 124.8°C
• Density: 1.616g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 245.97739132
• Heavy Atom Count: 15
• Complexity: 311

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CS(=O)(=O)C1=C(C(=C(C(=C1F)F)F)F)F

Technology Process of Sulfone, methyl pentafluorophenyl

There total 4 articles about Sulfone, methyl pentafluorophenyl 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:

pentafluorobenzensulfonyl fluoride (36650-04-1) + methyllithium (917-54-4) → (methylsulfonyl)pentafluorobenzene (651-85-4) + 4-(Pentafluorophenylsulfonylmethyl)-tetrafluorobenzenesulfonyl fluoride + bis(pentafluorophenylsulfonyl)methane

Guidance literature:

pentafluorobenzensulfonyl fluoride; methyllithium; In diethyl ether; at 25 ℃; for 1.83333h;

With hydrogenchloride; In diethyl ether;

DOI:10.1515/znb-2017-0092

Reference yield:

methyl pentafluorophenyl mercaptan (653-39-4) → (methylsulfonyl)pentafluorobenzene (651-85-4)

Guidance literature:

With dihydrogen peroxide; In acetic acid; at 100 ℃; for 2h;

DOI:10.1039/b007101n

Reference yield:

pentafluorophenylthiol (771-62-0) → (methylsulfonyl)pentafluorobenzene (651-85-4)

Guidance literature:

Multi-step reaction with 2 steps

1: Bu₄N⁽¹⁺⁾*HSO₄^(1-); aq. NaOH / CH₂Cl₂ / 1.08 h

2: aq. H₂O₂ / acetic acid / 2 h / 100 °C

With sodium hydroxide; dihydrogen peroxide; tetra(n-butyl)ammonium hydrogensulfate; In dichloromethane; acetic acid;

DOI:10.1039/b007101n

upstream raw materials:

methyl pentafluorophenyl mercaptan

pentafluorophenylthiol

pentafluorobenzensulfonyl fluoride

methyllithium

Downstream raw materials:

Dimethyl-(2,3,5,6-tetrafluoro-4-methanesulfonyl-phenyl)-amine

4-[(E)-3,7-Dimethylocta-2,6-dien-1-yloxy]-2,3,5-trifluoro-6-(2-trimethylsilylethoxy)phenyl methyl sulfone

methyl 2-anilinotetrafluorophenyl sulfone

4-[(E)-3,7-Dimethylocta-2,6-dien-1-yloxy]-2,3,5,6-tetrafluorophenyl methyl sulfone

Refernces

• 1、 Marriott, Jonathan H.,Moreno Barber, Amelia M.,Hardcastle, Ian R.,Rowlands, Martin G.,Grimshaw, Rachel M.,Neidle, Stephen,Jarman, Michael. "Synthesis of the farnesyl ether 2,3,5-trifluoro-6-hydroxy-4-[(E,E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yloxy] nitrobenzene, and related compounds containing a substituted hydroxytrifluorophenyl residue: Novel inhibitors of protein farnesyltransferase, geranylgeranyltransferase I and squalene synthase". . p. 4265 - 4278. Retrieved 2007/10/03.