Production of neo acids from biomass-derived monomers

Neo acids are highly branched carboxylic acids currently produced from fossil fuels. In this work, we produce renewable neo acids from lignocellulosic biomass-derived furan and keto acids via C-C coupling through hydroxyalkylation/alkylation (HAA), followed by ring-opening of furans through hydrodeoxygenation (HDO). We show effective C-C coupling over acid catalysts. Catalyst screening and multi-parameter optimization using machine learning optimize the yield and elucidate the correlation between variables and outcomes. We demonstrate selective furan ring-opening without affecting the carboxylic acid to make neo acids using a co-catalyst involving Pd supported on carbon and metal triflate. Neo acids are highly branched carboxylic acids currently produced from fossil fuels. In this work, we report a strategy to synthesize renewable neo acids with tailored molecular architecture from biomass-derived monomers.