Synthesis, crystal structure and DFT study of ethyl (3aR,7R,7aR)-2,2-dimethyl-7-((methylsulfonyl)oxy)-3a,6,7,7a-tetrahydrobenzo[d][1,3]dioxole-5-carboxylate

•The titled compound was calculated for its optimized structures by DFT.•The structures optimized by a DFT method were compared with the X-ray structures.•The reactions conditions are mild and the post-treatment is simple, which can be used for industrial production.•The function of intermolecular hydrogen bonding has a significant effect on ethyl (3aR,7R,7aR)-2,2-dimethyl-7-((methylsulfonyl)oxy)-3a,6,7,7a-tetrahydrobenzo[d][1,3] dioxole-5-carboxylate.