2,4-Difluoro-1-(methylsulfonyl)benzene

Base Information

• Chemical Name: 2,4-Difluoro-1-(methylsulfonyl)benzene
• CAS No.: 236739-02-9
• Molecular Formula: C7H6F2O2S
• Molecular Weight: 192.186
• Hs Code.: 2904909090
• European Community (EC) Number: 673-625-5
• DSSTox Substance ID: DTXSID30946487
• Nikkaji Number: J2.723.248E
• Wikidata: Q82924084
• Mol file: 236739-02-9.mol

Synonyms:236739-02-9;2,4-difluoro-1-(methylsulfonyl)benzene;2,4-Difluorophenyl methyl sulfone;2,4-difluorophenylmethylsulfone;2,4-difluoro-1-methylsulfonylbenzene;Benzene, 2,4-difluoro-1-(methylsulfonyl)-;2,4-difluoro-1-methanesulfonyl-benzene;SCHEMBL644662;?7-hydroxy-8-bromo-quinoline;DTXSID30946487;QERFJRMBVQTJAP-UHFFFAOYSA-N;MFCD03789188;2,4-difluoro-1-methanesulfonylbenzene;AKOS006228507;1-(Methylsulfonyl)-2,4-difluorobenzene;2,4-Difluoro-1-(methanesulfonyl)benzene;BS-42174;CS-0102713;FT-0694443;D76303;A816837;1-[(2,4-difluorophenyl)methylsulfonylmethyl]-2,4-difluoro-benzene

Chemical Property of 2,4-Difluoro-1-(methylsulfonyl)benzene

Chemical Property:

• Vapor Pressure: 0.00388mmHg at 25°C
• Melting Point: 60-61 °C
• Refractive Index: 1.49
• Boiling Point: 289.2 °C at 760 mmHg
• Flash Point: 128.7 °C
• PSA: 42.52000
• Density: 1.376 g/cm³
• LogP: 2.44910
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 192.00565693
• Heavy Atom Count: 12
• Complexity: 245

Purity/Quality:

97% ^*data from raw suppliers

2,4-DifluorophenylMethylSulfone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=C(C=C(C=C1)F)F
• Uses: 2,4-Difluorophenyl Methyl Sulfone is used as a reactant in the synthesis of BMS-903452 as an antidiabetic clinical candidate targeting GPR119.

Technology Process of 2,4-Difluoro-1-(methylsulfonyl)benzene

There total 5 articles about 2,4-Difluoro-1-(methylsulfonyl)benzene 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: 93.0%

1,3-Difluorobenzene (372-18-9) + methanesulfonyl chloride (124-63-0) → 2,4-difluoro-1-(methylsulfonyl)benzene (236739-02-9)

Guidance literature:

With trifluorormethanesulfonic acid; antimony(III) chloride; at 110 ℃; for 168h;

DOI:10.1002/ejoc.200400369

Reference yield: 80.0%

(2,4-difluorophenyl)(methyl)sulfane (130922-40-6) → 2,4-difluoro-1-(methylsulfonyl)benzene (236739-02-9)

Guidance literature:

With dihydrogen peroxide; In water; at 75 ℃; for 8h;

DOI:10.1039/c2gc36073j

Reference yield: 14.0%

methyl fluorosulfonate (558-25-8) + 1,3-Difluorobenzene (372-18-9) → 2,4-difluoro-1-(methylsulfonyl)benzene (236739-02-9)

Guidance literature:

With antimony pentafluoride; at 35 ℃; for 3h;

upstream raw materials:

methyl fluorosulfonate

1,3-Difluorobenzene

Methanesulfonic anhydride

methanesulfonyl chloride

Downstream raw materials:

N-(5-fluoro-2-(methylsulfonyl)phenyl)chroman-4-amine

C₁₅H₁₆FNO₂S

N-(5-fluoro-2-(methylsulfonyl)phenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

1-[3-fluoro-4-(methylsulfonyl)phenyl]piperazine