Sergey N. Denisenko

X-Ray crystallographic evidence for a vinylogous anomeric effect in benzotriazole-substituted heterocycles

Abstract Structural evidence for the existence of a ‘vinylogous’ anomeric effect is presented for a series of 4H-4-benzotriazolyl-2,6-diarylpyrans 1a,b and for their benzo-fused derivatives 2–5 and nitrogen analogue 6. X-Ray crystal structure analyses reveal changes in the geometry of the central ring and exocyclic C–N bond, which are discussed in terms of an interaction of the benzotriazole fragment with a heteroatom through four bonds.

QSAR Correlations of the Algistatic Activity of 5-Amino-1-Aryl-1H-Tetrazoles

Abstract The algistatic activity of 20 substituted 5-aminol-aryl-1H-tetrazoles was correlated with the second order Kier and Hall index, the XY shadow on the XY rectangle and the total hybridization component of the molecular dipole by the CODESSA program in a three parameter equation with r2 = 0.9330.

BENZOTRIAZOLE-MEDIATED 4-POSITION DERIVATIZATION OF 2,6-DIARYLPYRYLIUM CATIONS BY ELECTROPHILES

2,6-Diaryl-4H-(benzotriazolyl)pyrans (7a-c) on treatment with n-butyllithium undergo smooth lithiation at the position α to the benzotriazolyl moiety. In contrast to fused and bridged pyranyl derivatives, these pyranyl anions react with electrophiles by two routes: i) the expected electrophilic substitution resulting in various 4-alkyl- and 4-(ω-alkylfunctionalized)-pyrylium salts (12–19) or ii) pyrylium ring rearrangement of 2,6-diarylpyrylium anions (8a-c), leading to 1,2-diaryl-2,4-cyclopentadien-1-ols (10a-c

The chemical inventory system of the center for heterocyclic compounds, University of Florida.

A system suitable for tracking the amounts and locations of ca. 10 000 chemicals is described.