Conversion of biomass-derived sources into 5-hydroxymethylfurfural (HMF), a value-added platform chemical, has attracted great research interest motivated by the raising economic and environmental incentives. This review assesses the recent advance on the catalytic system of HMF production, with a main focus on the function of emerging catalysts, solvent system, and advanced reactor. A general overview of HMF production, the correlation between the catalyst physicochemical properties, with a special attention on the acidity property, and the catalytic activity under various reaction parameters, such as solvent or reactor have been summarized and compared. Besides, the reaction mechanism of HMF synthesis was discussed in details, which is helpful for designing novel catalyst with better catalytic activity and improving the stability. Research efforts to clarify the interactions among co-catalysts/co-solvents and between catalysts and solvents have been also classified. Future efforts on developing a synergistic catalytic system for biomass valorization has been pointed out.