Abstract
The article describes a highly efficient and safe procedure for synthesizing 2-iodo-3,4,5-trimethoxybenzoic acid (ITMBA) and 2,6-diiodo-3,4,5-trimethoxybenzoic acid (DITMBA) as well as the preparation of two different DITMBA crystal forms. The results of the performed single-crystal X-ray diffractometric analysis revealed the formation of a DITMBA dimer with co-crystallized toluene molecule and of a solvent free DITMBA catemer. The products were subjected further to comparative UV and Raman spectral analysis, with an emphasis on the pronounced ortho effect. The accurate assignments of some vibrational frequencies were confirmed by quantum chemical computations. The absence of ITMBA- and DITMBA-induced photo- and cytotoxicity was also proven.
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