Coal is one of combustion fuel sources that occupies an important position in the world energy resource structure. Coal pyrolysis is a very complex process involving myriad coupled reaction pathways. An in-depth mechanism investigation of coal pyrolysis will improve the efficient and cleaner coal conversion and utilisation. In this paper, a novel Coal Pyrolysis (CP) - Chemical Looping Gasification (CLG) integration strategy is proposed with the aid of multi-scale analysis to realise cleaner production of coal chemical products. First, ReaxFF molecular dynamics (MD) simulation is used to model the chemical reactions in the pyrolysis process to obtain the optimal parameters with the highest carbon conversion rate. The pyrolysis temperature should be set below 900 °C through mechanism analysis. Second, the CP-CLG system is simulated and analysed with Aspen Plus software to obtain high purity synthesis gas for synthesising cleaner coal chemical products. The mass flow of synthesis gas can reach 616.5 kg/h. Finally, one control scheme of multiple reactors is proposed to verify the stability of synthesis gas production with Aspen Dynamics software. The quality of synthesis gas is stable under different 10 % disturbances.