What question did this study set out to answer?

The aim is to develop a selective and efficient catalyst for the ammoxidation of methylarenes using less toxic metals.

April 10, 2026Open Access

Iron-based single-atom catalysts for selective ammoxidation of C(sp3)–H bonds and oxidative C–C cleavage reactions

Key Points

The aim is to develop a selective and efficient catalyst for the ammoxidation of methylarenes using less toxic metals.
Synthesis of Fe@BNC-800-L1 single-atom iron-based material
Co-embedding of Fe, B, and N species in a carbon matrix
Testing for ammoxidation and C–C bond cleavage reactions
The catalyst shows excellent activity for C–H and C–C bond oxidation.
Successful synthesis of over 60 diverse nitriles was achieved.
The methodology provides an efficient approach to producing important organic synthesis intermediates.

Abstract

Abstract Ammoxidation of methylarenes using ammonia and air is the main method for the synthesis of aromatic nitriles in the chemical industry. Despite significant efforts in industry and academia, no general and selective catalyst based on less toxic and earth-abundant metals has been developed for this reaction. Here we report a single-atom iron-based material (Fe@BNC-800-L1) with Fe–N 5 –B x configuration as an efficient sp 3 -hybridized C–H- and C–C bond oxidation catalyst. Due to the presence of Fe 3+ , B and N species, which are co-embedded in the micro-mesoporous carbon matrix, these materials show excellent activity for ammoxidation of methyl-substituted (hetero)arenes. Furthermore, highly selective C–C bond cleavage reactions of alkylarenes are presented, which complement the toolbox for nitrile synthesis. The generality of this presented Fe-based ammoxidation methodology is showcased by the straightforward and selective synthesis of >60 functionalized and structurally diverse nitriles, which are important precursors and key intermediates in organic synthesis with many applications in life sciences and industry.

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