Chemometric Optimization of BF₃·OEt₂-Mediated Cyclization of Cannabidiol to Rare Δ⁴- and Iso-THC Isomers.

ABSTRACT: The acid-catalyzed conversion of cannabidiol (CBD) to tetrahydrocannabinol and iso-tetrahydrocannabinol derivatives is a well-established synthetic strategy. However, since the reaction outcome is strongly dependent on the conditions, a careful investigation is always required to achieve the optimal chemoselectivity. Chemometrics recently emerged as an effective approach for improving synthetic methods, especially when multiple parameters are involved. The present paper aims to apply chemometrics tools to the optimization of the procedures for the preparation of Δ⁹-THC, Δ⁸-THC, Δ⁸-iso-THC, Δ⁴-iso-THC, and Δ⁴⁽⁸⁾-iso-THC. All the reactions have been performed at room temperature by tuning the initial concentration of CBD, the equivalents of the model Lewis acid consider

SUBMITTER: Bini A 

PROVIDER: S-EPMC12648456 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature