Hydrodefluorination of a Fluorobenzene Equivalent by Harnessing a P(III)/Pd(II)–P(V)/Pd(0) Redox Couple Using a P–CF 3 -Functionalized Benzazaphosphole

Key Points

• The research aims to explore a method for removing fluorine from a fluorobenzene equivalent using a specific redox couple.
• Utilized DFT calculations to evaluate redox reactions
• Analyzed the efficiency of a P(III)/Pd(II)–P(V)/Pd(0) system
• Investigated the impact of P–CF₃ functionalization on the reaction
• Demonstrated successful hydrodefluorination of the fluorobenzene equivalent
• Achieved improved reaction efficiency with the functionalized benzazaphosphole
• DFT calculations indicated favorable redox properties