Metal–organic frameworks (MOFs) materials have attracted great attention for applications in organic transformation in the last two decades. It exhibited excellent activity as a catalyst in organic transformation due to its unique properties like easily synthesizable, surface functional groups, different-different size cavities with various functional groups, high surface area which governs the high absorption capacity, various functionalities that provide the platform where host–guest interaction, further, the MOF materials permit modification in the catalyst for organic transformation reactions. In this chapter, the main focus is given to understanding the synthesis, and modification in MOFs design to superior potential applications such as catalysis in the organic synthesis reaction. This chapter provides the strategy for controlling the design of highly active MOFs and MOF-based material which catalyzes the chemical reactions and adjusts the optimized condition to acquire highly active MOFs material. Understanding the structure–reactivity relation is a major concern in organic transformation reactions such as coupling reactions, oxidations, and reductions of various substrates, acid- and base-catalysis in which MOF materials are used as catalysts.