منابع مشابه
When anomeric effects collide
Rotational coordinates about the C(3)–O(4) bonds of 2,4-dioxaheptane (DOH) and 2,4,6-trioxaheptane (TOH) are compared at correlated levels of electronic structure theory for gauche and trans orientations of the O(2)–C(3) bonds. TOH has overlapping anomeric effects, while DOH does not. The overlapping stereoelectronic effect shows its largest impact on the length of the O(2)–C(3) bond, which is ...
متن کاملStructural evidence of anomeric effects in the anesthetic isoflurane.
The conformational and structural properties of the inhalational anesthetic isoflurane (1-chloro-2,2,2-trifluoroethyl difluoromethyl ether) have been probed in a supersonic jet expansion using Fourier-transform microwave (FT-MW) spectroscopy. Two conformers of the isolated molecule were identified from the rotational spectrum of the parent and several (37)Cl and (13)C isotopologues detected in ...
متن کاملAb initio modelling of the anomeric and exo anomeric effects in 2-methoxytetrahydropyran and 2-methoxythiane corrected for intramolecular BSSE.
Accurate ab initio calculations including basis set limit (BSL) extrapolations, removal of intramolecular basis set superposition error (BSSE), solvent effect corrections, and thermal effects have been carried out to compare the structure and the anomeric and exo-anomeric effect in 2-methoxytetrahydropyran and 2-methoxythiane. The effect of intramolecular BSSE on the energetics was outlined for...
متن کاملSynthesis of New Fused Benzothiadiazepines and Macrocyclic Sulfamides Starting from N,N-Disubstituted Sulfamides and N(Boc)-Sulfamides
Herein, we describe an efficient one-step synthesis of new fused benzothiadiazepine-1,1-dioxides and macrocyclic sulfamides. The synthesis of these compounds was achieved in moderate yields starting from previously described N,N'-disubstituted symmetric sulfamides and N-tert-butoxycarbonyl, N'-alkyl sulfamide. The chemical structures of all the new compounds reported in this work were confirmed...
متن کاملAnomeric Hydroperoxides; Synthesis, Enantioselective Epoxidation
Some time ago we reported the oxidation of 2,3-unsaturated hexopyranosides and 2-Cmethylene glycosides with hydrogen peroxide in the presence of molybdenum trioxide catalyst to give the corresponding anomeric hydroperoxides 1-5. Relatively stable hydroperoxides 1-5 were used for enantioselective oxidation of prochiral alcohols and sulfides in the presence of Ti(OiPr)4 with stereoselectivities v...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 2016
ISSN: 1089-5639,1520-5215
DOI: 10.1021/acs.jpca.6b02757