Description

Trimethylsilyl 2,2-difluoro-2-(fluorosulfonyl)acetate (CAS No. 120801-75-4) is a highly specialized organosilicon compound with the molecular formula C₅H₉F₃O₄SSi. This reagent is widely utilized in advanced synthetic organic chemistry and materials science due to its unique reactivity as a difluoroacetate derivative with a fluorosulfonyl group. The trimethylsilyl (TMS) moiety enhances its stability and solubility in non-polar solvents, making it ideal for controlled reactions. Suitable for researchers and industrial chemists, this compound is rigorously tested for purity and consistency, ensuring reliable performance in demanding applications. Store under inert conditions to maintain integrity.

Properties

• CAS Number: 120801-75-4
• Complexity: 326
• IUPAC Name: trimethylsilyl 2,2-difluoro-2-fluorosulfonyl-acetate
• InChI: InChI=1S/C5H9F3O4SSi/c1-14(2,3)12-4(9)5(6,7)13(8,10)11/h1-3H3
• InChI Key: XHVSCKNABCCCAC-UHFFFAOYSA-N
• Exact Mass: 249.99429096
• Molecular Formula: C5H9F3O4SSi
• Molecular Weight: 250.27
• SMILES: C[Si](C)(C)OC(=O)C(F)(F)S(=O)(=O)F
• Topological: 68.8
• Monoisotopic Mass: 249.99429096
• Synonyms: 120801-75-4, Trimethylsilyl 2,2-difluoro-2-(fluorosulfonyl)acetate, DTXSID40380752, DTXCID70331777, trimethylsilyl 2-(fluorosulfonyl)difluoroacetate, trimethylsilyl 2,2-difluoro-2-fluorosulfonylacetate, Trimethylsilyl fluorosulfonyldifluoroacetate, trimethylsilyl difluoro(fluorosulfonyl)acetate, MFCD02093343, trimethylsilyl 2-(fluorosulphonyl)difluoroacetate, trimethylsilyl 2-fluorosulfonyl-2,2-difluoroacetate, trimethylsilyl2-(fluorosulphonyl)difluoroacetate, SCHEMBL365604, Difluoro(fluorosulfonyl)acetic Acid Trimethylsilyl Ester, BBL101583, FD2020, STL555379, AKOS005063314, AB10786, AS-48913, SY039500, DB-234133, trimethylsilyl 2,2-difluoro-2-sulfoacetate, CS-0105914, T3022, EN300-51162, trimethylsilyl difluoro(fluorosulphonyl)acetate, A804593, trimethylsilyl 2,2-difluoro-2-(fluorosulphonyl)acetate, TRIMETHYLSILYL2,2-DIFLUORO-2-(FLUOROSULFONYL)ACETATE, 2,2-difluoro-2-fluorosulfonylacetic acid trimethylsilyl ester, trimethylsilyl 2,2-bis(fluoranyl)-2-fluorosulfonyl-ethanoate, Acetic acid, 2,2-difluoro-2-(fluorosulfonyl)-, trimethylsilyl ester

Application

Trimethylsilyl 2,2-difluoro-2-(fluorosulfonyl)acetate is primarily employed as a key intermediate in the synthesis of fluorinated organic compounds, including pharmaceuticals and agrochemicals. Its reactive fluorosulfonyl group facilitates efficient introduction of fluorine atoms into target molecules, enabling precise structural modifications. Researchers also leverage its properties in polymer chemistry to create fluorinated materials with enhanced thermal and chemical resistance. Additionally, it serves as a versatile building block in organometallic catalysis and specialty reagent formulations.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Skin Corr. 1B (100%)

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