A theoretical route could turn psychoactive THC into nonpsychoactive CBD
Synthetic Pathway of Nonpsychoactive Cannabidiol from Psychoactive Tetrahydrocannabinol: A DFT Guide.
AI Summary
This density functional theory (DFT) study proposes a chemical route for converting psychoactive Δ9-THC into nonpsychoactive CBD. The proposed process uses two main steps: opening a cyclic ether ring after hydrogen elimination, followed by hydrolysis that creates hydroxyl groups. Boron trichloride (BCl3) and a selective base facilitate the transformation. Related cannabinoids, including Δ8-THC and CBN, were also examined.
The calculations identify TS4-5 as the rate-determining transition state, with activation free energies of 49.4, 50.3, and 54.1 kcal mol−1 for Δ9-THC, Δ8-THC, and CBN, respectively. The overall reactions are highly exergonic, with ΔGrxn = −33.9 to −32.9 kcal mol−1, suggesting favorable conversion under the modeled mild conditions. For cannabis users, this is not evidence of a tested product or immediate medical benefit; rather, it is a theoretical foundation that could support future efforts to produce CBD and other nonpsychoactive cannabinoids more efficiently.
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