Description

Trifluoromethanesulfonic acid 2-fluorophenyl ester (CAS No. 113777-27-8) is a high-purity fluorinated sulfonate ester with the molecular formula C₇H₄F₄O₃S. This specialized chemical is widely utilized in organic synthesis, particularly as an electrophilic reagent for introducing the 2-fluorophenyl group into target molecules. Its IUPAC name, (2-fluorophenyl) trifluoromethanesulfonate, reflects its precise structural configuration. The compound is characterized by its stability under inert conditions and reactivity in cross-coupling reactions, making it a valuable tool for researchers in pharmaceutical and materials science applications. Our product is rigorously tested to ensure >98% purity (GC) and is supplied in sealed, light-resistant containers to maintain integrity.

Properties

• CAS Number: 113777-27-8
• Complexity: 305
• IUPAC Name: (2-fluorophenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C7H4F4O3S/c8-5-3-1-2-4-6(5)14-15(12,13)7(9,10)11/h1-4H
• InChI Key: QQHVKUUJFNKEAG-UHFFFAOYSA-N
• Exact Mass: 243.98172781
• Molecular Formula: C7H4F4O3S
• Molecular Weight: 244.17
• SMILES: C1=CC=C(C(=C1)OS(=O)(=O)C(F)(F)F)F
• Topological: 51.8
• Monoisotopic Mass: 243.98172781
• Synonyms: 113777-27-8, 2-Fluorophenyl trifluoromethanesulphonate, Trifluoromethanesulfonic acid 2-fluorophenyl ester, (2-fluorophenyl) trifluoromethanesulfonate, 2-fluorophenyl trifluoromethanesulfonate, SCHEMBL776669, SCHEMBL27941886, QQHVKUUJFNKEAG-UHFFFAOYSA-N

Application

Trifluoromethanesulfonic acid 2-fluorophenyl ester serves as a versatile reagent in palladium-catalyzed cross-coupling reactions for constructing biaryl systems. It is particularly useful in Suzuki-Miyaura and Negishi couplings to introduce fluorinated aromatic moieties into complex molecules. The compound finds application in the synthesis of liquid crystal materials and pharmaceutical intermediates where fluorine substitution is required. Its triflate group acts as an excellent leaving group in nucleophilic aromatic substitution reactions.

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