Mild decarboxylation of neat muconic acid to levulinic acid: a combined experimental and computational mechanistic study.

ABSTRACT: Levulinic acid (LA) is a key platform molecule with current applications in the synthesis of several commodity chemicals, including amino-levulinic acid, succinic acid, and valerolactone. In contrast to existing petroleum-based synthesis pathway, biomass-derived cis-cis-muconic acid (MA) offers a sustainable route to synthesize LA. Here, we show the complete decarboxylation of neat MA to LA without solvent at atmospheric pressure and mild temperature. In a series of sulfuric acid catalyzed experiments, we used a suite of one and two-dimensional NMR techniques along with gas chromatography-mass spectrometry (GCMS) analysis and density functional theory (DFT) calculations to elucidate the intermediates involved in LA synthesis. Experimental kinetic studies revealed rate constan

SUBMITTER: Bhardwaj S 

PROVIDER: S-EPMC11638912 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature