The difference of reaction mechanism between 2, 4-di-tert-butylphenol and 2, 6-di-tert-butylphenol in the synthesis of salicylic acid
This study theoretically investigates the atomic-scale reaction mechanisms of 2,4- and 2,6-di-tert-butylphenol carboxylation, revealing that while the 2,4-isomer forms a more stable product, its higher energy barrier necessitates high temperature and pressure conditions for efficient industrial production via the Kolbe-Schmitt reaction.
Original paper licensed under CC BY 4.0 (https://creativecommons.org/licenses/by/4.0/). This is an AI-generated explanation of the paper below. It is not written or endorsed by the authors. For technical accuracy, refer to the original paper. Read full disclaimer
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