2-Azidoazirines, sufficiently stable to be isolated in good yields, were synthesized by the cascade SN2'-SN2' substitution of bromine in methyl 2-bromo-2H-azirine-2-carboxylates using sodium azide in acetonitrile. According to the DFT calculations, the first step, Br/N3 exchange, is rate-determining and occurs in a concerted manner, while the subsequent N3/N3 exchange is a stepwise process. An alternative method using the TMSN3/Et3N/CH2Cl2 system permits the isolation in pure form of only 2-azidoazirines having ortho-substituted aryl substituent at C3, although it is more efficient in a one-pot synthesis of 1-(azirin-2-yl)-1,2,3-triazoles from the bromoazirines via the “cascade SN2'-SN2' substitution/CuAAC reaction” sequence. The protocol has a broad scope for both azirines and alkynes and provides good product yields. The described CuAAC reaction of 2-azidoazirines represents the first example of a copper(I)-catalyzed reaction of azirines that occurs with the preservation of the azirine ring.
Original languageEnglish
Pages (from-to)19957-19962
Number of pages6
JournalNew Journal of Chemistry
Volume48
Issue number47
Early online date11 Nov 2024
DOIs
StatePublished - 11 Nov 2024

    Research areas

  • Bromine compounds, Catalysis, Substitution reactions, Synthesis (chemical), 2H-Azirines, Aryl substituents, Catalyzed reactions, Click chemistry, DFT calculation, One-pot synthesis, Product yields, Reaction sequences, Sodium azide, Synthesised, Carboxylation, 1,2,3 triazole derivative, ascorbic acid, azirine derivative, nucleophile, phenylacetylene, Article, catalyst, chemical bond, click chemistry, column chromatography, controlled study, cross coupling reaction, crystallization, decomposition, density functional theory, electrophilicity, isomer, nucleophilicity, one pot synthesis, proton nuclear magnetic resonance, room temperature, substitution reaction, Suzuki reaction, synthesis

ID: 127210272