Kolev, Iliyan and Dimova, Tanya and Iliev, Ivan and Rogozherov, Marin and Bodensteiner, Michael (2023) Further findings concerning 2,6-diiodo-3,4,5-trimethoxybenzoic acid (Part II). JOURNAL OF MOLECULAR STRUCTURE, 1294: 136388. ISSN 0022-2860, 1872-8014
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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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | IODINATION; ABSORPTION; SPECTRA; NITRATE; Iodine-silver nitrate; Crystal structure; Vibrational analysis; UV analysis; Phototoxicity |
| Subjects: | 500 Science > 540 Chemistry & allied sciences 600 Technology > 615 Pharmacy |
| Divisions: | Chemistry and Pharmacy > Central Analytical Services |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 30 Jan 2024 08:00 |
| Last Modified: | 30 Jan 2024 08:00 |
| URI: | https://pred.uni-regensburg.de/id/eprint/60119 |
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