One-pot conversion of xylose to furfuryl alcohol over a ternary metal salt catalyst without external H2

The efficient conversion of xylose into high-value furfuryl alcohol (FOL) is crucial for sustainable development, but often relies on noble-metal catalysts and external H₂ supply. Herein, we report an efficient catalytic system based on ternary metal salt for the one-pot conversion of xylose to FOL without external H 2 . Using isopropanol as both solvent and hydrogen donor, the Al 3 Ni 5 Ca 2 Cl x catalyst achieved complete xylose conversion and a ~70% yield of FOL at 140 °C for 4 h. Comprehensive characterization, including Hammett acidity measurements and X-ray photoelectron spectroscopy, revealed that the balanced Brønsted and Lewis acidity of the ternary Al 3 Ni 5 Ca 2 Cl x system plays a crucial role in promoting xylose dehydration while suppressing side reactions. Density functional theory (DFT) calculations further elucidated the reaction mechanism, showing that the synergistic interplay between Al- and Ni-based alkoxide species facilitates the rate-determining hydride transfer step via a six-membered cyclic transition state in the Meerwein-Ponndorf-Verley hydrogenation pathway. This work provides a noble-metal-free, scalable, and environmentally benign strategy for the valorization of hemicellulose-derived sugars into value-added chemicals.