2,3-Dihydrothiazolo[2,3-b]thiazolium iodides and bromide have been obtained for the first time via cyclization of the corresponding methallyl- and propinylsulfanyl derivatives of 1,3-thiazole with iodine and bromine in dichloromethane without heating and the use of strong acids. The structure of the obtained compounds has been studied by means of H-1 and C-13{H-1} NMR spectroscopy. Structure of the 3-iodomethyl-3,5-dimethyl-2,3-dihydrothiazolo[2,3-b][1,3]thiazolium heterocyclic system and the cation-anion noncovalent interactions have been analyzed on the basis of quantum-chemical simulations with periodic boundary conditions and characterized by means of X-ray diffraction analysis.
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Inst Res Biomed, Barcelona 08028, Spain
Univ Barcelona, Fac Pharm, Organ Chem Lab, E-08028 Barcelona, SpainInst Res Biomed, Barcelona 08028, Spain
Ruiz-Sanchis, Pau
Savina, Svetlana A.
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Inst Res Biomed, Barcelona 08028, Spain
Networking Ctr Bioengn Biomat & Nanomed, CIBER BBN, Barcelona 08028, SpainInst Res Biomed, Barcelona 08028, Spain
Savina, Svetlana A.
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Albericio, Fernando
Alvarez, Mercedes
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h-index: 0
机构:
Inst Res Biomed, Barcelona 08028, Spain
Networking Ctr Bioengn Biomat & Nanomed, CIBER BBN, Barcelona 08028, Spain
Univ Barcelona, Fac Pharm, Organ Chem Lab, E-08028 Barcelona, SpainInst Res Biomed, Barcelona 08028, Spain