Preparation of Pentacyclo‐[8.2.1.1^4,70^2,90^3,8] ‐tetradecane‐5,6,11,12‐tetracarboxylic Dianhydride Combined with Gaussian Calculation

Abstract

The pentacyclic‐[8.2.1.14,702,903,8]‐tetradecane‐5,6,11,12‐tetracarboxylic dianhydride was prepared by norbornene dianhydrides as raw material and acetone as a solvent in a self‐made vertical photo reactor with single wavelength ultraviolet light. Based on the Gaussian Calculation combine with experiments, we studied the optimum wavelength of ultraviolet light and the stable conformation of the target product. The structure of the target compound was determined by HPLC‐MS, 1H NMR, 13C NMR, and X‐ray diffraction. The results showed that the yield of pentacyclic‐[8.2.1.14,702,903,8]‐tetradecane‐5,6,11,12‐tetracarboxylic dianhydride could reach 50.5 %, the reaction temperature was 20 °C, the initial concentration of reactant was 0.15 g/mL, the flow rate of the substrate was 5 mL/min, and the reaction time was 4 h.