Synthesis, characterization, and crystal structure of 2-iodo-3,4,5-trimethoxybenzoic acid

This work describes the synthesis of 2-iodo-3,4,5-trimethoxybenzoic acid. The combination of iodine and silver trifluoroacetate (AgTFA) reagents was used successfully for the iodination of 3,4,5-trimetoxybenzoic acid. To improve the efficiency of the synthetic process a significant modification on the experimental design was also performed. The main structural features of the obtained aryl iodide were investigated by a single crystal X-ray diffraction analysis, FTIR, 1H and 13C NMR spectroscopy.

► The main advantage of the applied synthetic procedure is its operational simplicity.
► The experimental setup allows controlled addition of I2 using less organic solvent.
► The structure of the reaction product has been identified.