Description

Prop-2-yn-1-yl 2,2,2-trifluoroethyl carbonate (CAS No. 2361539-53-7) is a high-purity specialty chemical with the molecular formula C₆H₅F₃O₃. This compound, also known by its IUPAC name prop-2-ynyl 2,2,2-trifluoroethyl carbonate, is a valuable reagent for synthetic organic chemistry and pharmaceutical research. Its unique structure, featuring a propargyl group and a trifluoroethyl carbonate moiety, makes it a versatile building block for click chemistry, fluorinated compound synthesis, and drug discovery applications. Our product is rigorously tested to ensure ≥95% purity (HPLC/GC) and is supplied in sealed, light-resistant packaging under inert atmosphere to guarantee stability. Available in quantities ranging from milligrams to kilograms, this compound is ideal for researchers requiring precision and reproducibility in their experiments.

Properties

• CAS Number: 2361539-53-7
• Complexity: 200
• IUPAC Name: prop-2-ynyl 2,2,2-trifluoroethyl carbonate
• InChI: InChI=1S/C6H5F3O3/c1-2-3-11-5(10)12-4-6(7,8)9/h1H,3-4H2
• InChI Key: ULSJNQXSPSZCMG-UHFFFAOYSA-N
• Exact Mass: 182.01907850
• Molecular Formula: C6H5F3O3
• Molecular Weight: 182.10
• SMILES: C#CCOC(=O)OCC(F)(F)F
• Topological: 35.5
• Monoisotopic Mass: 182.01907850
• Synonyms: DB-173229, Prop-2-yn-1-yl 2,2,2-trifluoroethyl carbonate, 2361539-53-7

Application

Prop-2-yn-1-yl 2,2,2-trifluoroethyl carbonate serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. The propargyl group enables copper-catalyzed azide-alkyne cycloaddition (CuAAC) reactions for bioconjugation and materials science applications. Its trifluoroethyl carbonate moiety is particularly useful for introducing fluorine atoms into target molecules to enhance metabolic stability and bioavailability. Researchers also utilize this compound in polymer chemistry to create fluorinated polycarbonates with unique material properties.

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