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

Base Information

• Chemical Name: 1,2-Difluoro-4-(methylsulfonyl)benzene
• CAS No.: 424792-57-4
• Molecular Formula: C7H6F2O2S
• Molecular Weight: 192.186
• Hs Code.: 2904909090
• European Community (EC) Number: 674-385-4
• DSSTox Substance ID: DTXSID20382259
• Wikidata: Q72463473
• Mol file: 424792-57-4.mol

Synonyms:1,2-Difluoro-4-(methylsulfonyl)benzene;424792-57-4;1,2-difluoro-4-methylsulfonylbenzene;1,2-difluoro-4-methanesulfonylbenzene;1,2-difluoro-4-(methylsulphonyl)benzene;3,4-difluorophenyl methyl sulfone;MFCD04037934;1,2-difluoro-4-methylsulfonyl-benzene;1,2-Difluoro-4-methanesulfonyl-benzene;SCHEMBL646030;BENZENE, 1,2-DIFLUORO-4-(METHYLSULFONYL)-;DTXSID20382259;WMBJGJXMKCOHGG-UHFFFAOYSA-N;BBL101720;STL555517;AKOS006228234;CS-W015819;PS-8331;1,2-difluoro-4-(methanesufonyl)benzene;1,2-difluoro-4-(methanesulfonyl)benzene;SY009043;AM20060943;D4526;FT-0676966;EN300-62332;A856637;1,2-Difluoro-4-(methylsulfonyl)benzene, AldrichCPR;J-503821

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

Chemical Property:

• Vapor Pressure: 0.00178mmHg at 25°C
• Melting Point: 71 °C
• Refractive Index: 1.49
• Boiling Point: 302.4 °C at 760 mmHg
• Flash Point: 136.7 °C
• PSA: 42.52000
• Density: 1.376 g/cm³
• LogP: 2.44910
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.5
• 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:

98% ^*data from raw suppliers

1,2-Difluoro-4-methylsulfonylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC(=C(C=C1)F)F
• Uses: 1,2-Difluoro-4-methylsulfonylbenzene

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

There total 4 articles about 1,2-Difluoro-4-(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: 59.0%

methanesulfonic acid (75-75-2,98527-29-8) + ortho-difluorobenzene (367-11-3) → 1,2-difluoro-4-(methylsulfonyl)benzene (424792-57-4)

Guidance literature:

methanesulfonic acid; With thionyl chloride; Reflux;

ortho-difluorobenzene; With trifluorormethanesulfonic acid; at 80 - 120 ℃;

Reference yield:

(3,4-difluorophenyl)(methyl)sulfane (130922-41-7) → 1,2-difluoro-4-(methylsulfonyl)benzene (424792-57-4)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃;

Reference yield:

ortho-difluorobenzene (367-11-3) + methanesulfonyl chloride (124-63-0) → 1,2-difluoro-4-(methylsulfonyl)benzene (424792-57-4)

Guidance literature:

With aluminum (III) chloride; at 90 ℃; for 18h;

upstream raw materials:

ortho-difluorobenzene

methanesulfonyl chloride

(3,4-difluorophenyl)(methyl)sulfane

methanesulfonic acid

Downstream raw materials:

(S)-isopropyl6-(1-(2-fluoro-4-(methylsulfonyl)phenyl)pyrrolidin-3-yloxy)-3,4-dihydroisoquinorine-2(1H)-carboxylate

(S)-3-(1-(2-fluoro-4-(methylsulfonyl)phenyl)pyrrolidin-3-yloxy)benzyl isopropyl carbonate

C₁₈H₂₀FNO₄S

(S)-3-(1-(5-ethylpyrimidin-2-yl)piperidin-4-yl)-5-(1-(2-fluoro-4-(methylsulfonyl)phenyl)pyrrolidin-3-yl)-1,2,4-oxadiazole

Refernces

• 1、 -. "CRTH2 ANTAGONISTS". Page/Page column 13-14. . Retrieved 2008/12/06.
• 2、 -. "SYNTHESIS OF METHYLSULPHONYL BENZENE COMPOUNDS". Page/Page column 8-9; 10-11. . Retrieved 2010/11/27.