Regiodivergent N1- and C3- Carboxylation of Indoles

16 January 2026, Version 1
This content is an early or alternative research output and has not been peer-reviewed by Cambridge University Press at the time of posting.

Abstract

Regioselective carboxylation of indoles using CO₂ remains a long-standing challenge, particularly for achieving controllable access to both N1- and C3-carboxylated products under unified conditions. Herein, we report a temperature-controlled, regiodivergent strategy for indole carboxylation enabled by cesium triphenylacetate as a benign CO₂-transfer reagent. This metal-free protocol allows selective N1- or C3-carboxylation from the same indole substrates simply by adjusting the reaction temperature and reagent loading, without external CO₂ pressure or strong bases. The method exhibits broad substrate scope, predictable regioselectivity, and good functional-group tolerance, and is readily applicable to near-stoichiometric 13C isotope labeling. Mechanistic studies reveal that reversible N1-carboxylation and temperature-dependent redistribution of a delocalized indolyl anion are responsible for the observed regioselectivity. This work establishes a unified and practical platform for regiodivergent indole carboxylation and introduces a distinct CO₂-transfer paradigm for regioselective C–H functionalization of heteroarenes.

Keywords

Carboxylation
Indoles
isotope labeling

Supplementary materials

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Description
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Title
Supplementary Information-Regiodivergent N1- and C3- Carboxylation of Indoles
Description
This SI provides experimental procedure, data and images.
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