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2,6-Di-bromo-3,4,5-tri-meth-oxy-benzoic acid.

ABSTRACT: The title compound, 2,6-di-bromo-3,4,5-tri-meth-oxy-benzoic acid (DBrTMBA), C₁₀H₁₀Br₂O₅, was obtained by bromination and transhalogenation of 2-iodo-3,4,5-tri-meth-oxy-benzoic acid with KBrO₃. Like the previously reported 2,6-di-iodo-3,4,5-tri-meth-oxy-benzoic acid (DITMBA), the structure of the title compound features a catemeric arrangement of DBrTMBA mol-ecules along an endless chain of carb-oxy-lic H-carbonyl inter-actions. A short carbon-yl-phenyl contact hints at a possible lone pair(O)-π-hole inter-action further stabilizing the chain-like structure over a dimeric arrangement of the carb-oxy-lic acid.

SUBMITTER: Meurer F

PROVIDER: S-EPMC10561206 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature

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2,6-Di-bromo-3,4,5-tri-meth-oxy-benzoic acid.

Meurer Florian F Dimova Tanya T Bodensteiner Michael M Kolev Iliyan I

Acta crystallographica. Section E, Crystallographic communications 20230914 Pt 10

The title compound, 2,6-di-bromo-3,4,5-tri-meth-oxy-benzoic acid (DBrTMBA), C10H10Br2O5, was obtained by bromination and transhalogenation of 2-iodo-3,4,5-tri-meth-oxy-benzoic acid with KBrO3. Like the previously reported 2,6-di-iodo-3,4,5-tri-meth-oxy-benzoic acid (DITMBA), the structure of the title compound features a catemeric arrangement of DBrTMBA mol-ecules along an endless chain of carb-oxy-lic H-carbonyl inter-actions. A short carbo ...[more]

PMID: 37817949

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