The synthesis of azo dyes, renowned for their vivid colors and stability, is essential in industries such as textiles, cosmetics, and food colorants. Traditional synthesis methods, involving diazotization and azo coupling reactions, are often complex, resource-intensive, and environmentally taxing due to the use of toxic chemicals and the generation of hazardous waste. As the demand for sustainable and efficient manufacturing processes grows, there is a pressing need to innovate and optimize dye synthesis techniques. This paper investigates the integration of machine learning (ML) techniques in azo dye synthesis, focusing on supervised learning, deep learning, and strategies for small datasets. By leveraging ML algorithms, researchers can predict synthesis outcomes from limited experimental data, facilitating the search for specific dyes and the optimization of known reactions. This capability is particularly beneficial in azo dye synthesis, where experimental data can be scarce and diverse. Through a detailed analysis of recent advancements and case studies, this research demonstrates how ML can enhance the search for specific dyes and optimize existing processes using minimal datasets. These findings highlight the transformative potential of machine learning in chemical synthesis, setting a new paradigm for the development of azo dyes in the modern era.