Methyl 2,2-Difluoro-2-(fluorosulfonyl)acetate

Base Information

• Chemical Name: Methyl 2,2-Difluoro-2-(fluorosulfonyl)acetate
• CAS No.: 680-15-9
• Molecular Formula: C3H3F3O4S
• Molecular Weight: 192.116
• Hs Code.: 29159000
• Mol file: 680-15-9.mol

Synonyms:Aceticacid, difluoro(fluorosulfonyl)-, methyl ester (6CI,7CI,8CI,9CI);(Fluorosulfonyl)difluoroacetic acid methyl ester;2,2-Difluoro-2-fluorosulfonylacetic acid methyl ester;Difluoro(fluorosulfonyl)acetic acid methyl ester;Methyl(fluorosulfonyl)difluoroacetate;Methyl 2-fluorosulfonyldifluoroacetate;Methyl difluoro(fluorosulfonyl)acetate;Methyl fluorosulphonyldifluoroacetate;

Chemical Property of Methyl 2,2-Difluoro-2-(fluorosulfonyl)acetate

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 1170mmHg at 25°C
• Refractive Index: n20/D 1.351(lit.)
• Boiling Point: 150 °C at 760 mmHg
• Flash Point: 44.5 °C
• PSA: 68.82000
• Density: 1.614 g/cm³
• LogP: 1.13230
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

99% ^*data from raw suppliers

Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, Xi
• Hazard Codes: C,Xi
• Statements: 10-34
• Safety Statements: 26-36/37/39-45-16

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Efficient reagent for the trifluoromethylation of aryls and difluorocyclopropanation of alkenes. Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate is a useful reagent for the trifluoromethylation of alkyl halides. It is also broadly applicable reagent for perfluoroalkylations for aryl iodides and bromides.

Technology Process of Methyl 2,2-Difluoro-2-(fluorosulfonyl)acetate

There total 13 articles about Methyl 2,2-Difluoro-2-(fluorosulfonyl)acetate 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%

methanol (67-56-1) + 2-fluorosulfonyl-2,2-difluoroacetyl chloride (1648-30-2) → hydrogenchloride (7647-01-0,15364-23-5) + 2,2-difluoro-2-(fluorosulfonyl)acetate (680-15-9)

Guidance literature:

In neat (no solvent);

Reference yield: 95.0%

methanol (67-56-1) + tetrafluoroethane-β-sultone (697-18-7) → 2,2-difluoro-2-(fluorosulfonyl)acetate (680-15-9)

Guidance literature:

at 0-5°C;

Reference yield: 92.0%

methanol (67-56-1) + 5,5,6,6-tetrafluoro-2,2,4,4-tetroxo-1,3-dioxa-2,4-dithiane (1858-59-9) → 2,2-difluoro-2-(fluorosulfonyl)acetate (680-15-9)

Guidance literature:

at -20°C for 1 h, warming to room temp.;

upstream raw materials:

methanol

tetrafluoroethane-β-sultone

sodium methylate

4-heptafluoropropoxytrifluoro-1,2-oxathietane 2,2-dioxide

Downstream raw materials:

p-nitrobenzotrifluoride

p-(trifluoromethyl)phenyl trifluoromethanesulfonate

2-trifluoromethyl-1-trifluoromethanesulfonyloxybenzene

3-(trifluoromethyl)phenyl trifluoromethanesulfonate

Refernces

• 1、 Mohtasham, Javid,Behr, Fred E.,Gard, Gary L.. "SULFONATION OF F-BUTYL F-VINYLETHER: SYNTHESIS OF A NEW FLUORINATED β-SULTONE AND DERIVATIVES". . p. 349 - 357. Retrieved 2007/10/02.