Description

Ethyl 2,2-Difluoro-2-(trimethylsilyl)acetate (CAS No. 205865-67-4) is a high-purity organosilicon compound with the molecular formula C₇H₁₄F₂O₂Si. This specialty chemical is widely utilized in advanced organic synthesis, particularly as a versatile building block for introducing difluoromethyl and trimethylsilyl groups into target molecules. Its unique structure combines the reactivity of an ester with the stability and handling benefits of a silyl group, making it invaluable for pharmaceutical intermediates, agrochemical development, and materials science applications. Available in rigorously controlled batches with ≥95% purity (GC), this compound is supplied in amber glass bottles under inert atmosphere to ensure stability and longevity. Technical data including ¹H/¹⁹F/¹³C NMR spectra and GC-MS chromatograms are available upon request.

Properties

• CAS Number: 205865-67-4
• Complexity: 175
• IUPAC Name: ethyl 2,2-difluoro-2-trimethylsilyl-acetate
• InChI: InChI=1S/C7H14F2O2Si/c1-5-11-6(10)7(8,9)12(2,3)4/h5H2,1-4H3
• InChI Key: DYAKYYSMROBYNG-UHFFFAOYSA-N
• Exact Mass: 196.07311254
• Molecular Formula: C7H14F2O2Si
• Molecular Weight: 196.27
• SMILES: CCOC(=O)C(F)(F)[Si](C)(C)C
• Topological: 26.3
• Monoisotopic Mass: 196.07311254
• Synonyms: ethyl 2,2-difluoro-2-(trimethylsilyl)acetate, 801-542-8, 205865-67-4, ETHYL DIFLUORO(TRIMETHYLSILYL)ACETATE, Ethyl trimethylsilyldifluoroacetate, Ethyl(trimethylsilyl)difluoroacetate, ethyl 2,2-difluoro-2-trimethylsilylacetate, Ethyl 2,2-difluoro-2-(trimethylsilanyl)acetate, MFCD04973092, 2,2-difluoro-2-(trimethylsilyl)acetic acid ethyl ester, ethyl2,2-difluoro-2-(trimethylsilyl)acetate, C7H14F2O2Si, SCHEMBL8055619, DTXSID10374562, BBL101711, STL555508, AKOS006295443, FS-5715, SY063716, E1314, difluorotrimethylsilanylacetic acid ethyl ester, F12531

Application

Ethyl 2,2-Difluoro-2-(trimethylsilyl)acetate serves as a key reagent in nucleophilic difluoromethylation reactions for pharmaceutical synthesis. The compound enables efficient introduction of CF₂ groups into complex molecules through its reactive enolate form. Researchers employ it as a precursor for synthesizing fluorinated analogs of bioactive compounds in medicinal chemistry programs. Its dual functionality also facilitates silicon-based protective group strategies in multi-step organic transformations.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Skin Irrit. 2 (33.3%)
• Eye Irrit. 2 (33.3%)
• STOT SE 3 (33.3%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.