Vinogradova, Ekaterina V.; Mueller, Peter; Buchwald, Stephen L. published the artcile< Structural Reevaluation of the Electrophilic Hypervalent Iodine Reagent for Trifluoromethylthiolation Supported by the Crystalline Sponge Method for X-ray Analysis>, SDS of cas: 112-63-0, the main research area is structural reevaluation electrophilic hypervalent iodine reagent trifluoromethylthiolation; crystalline sponge X ray analysis.
Hypervalent iodine λ3-benziodoxoles are common electrophilic transfer reagents known for their enhanced stability compared to their non-cyclic analogs. Herein we present data showing that chlorobenziodoxole reacts with two different thiolate nucleophiles (thiocyanate and trifluoromethylthiolate), resulting in the formation of stable thioperoxy complexes rather than the expected benziodoxole derivatives We further report a revised structure for the earlier described electrophilic trifluoromethylthiolation reagent (1), which was previously believed to contain the benziodoxole framework. Our findings, which are based on a combination of anal. techniques, including the recently introduced crystalline sponge method for X-ray anal., unambiguously demonstrate that 1 is a thioperoxy compound both in solution and the solid state.
Angewandte Chemie, International Edition published new progress about Crystal structure. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, SDS of cas: 112-63-0.
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