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Controlled synthesis of electron deficient nitro-1H-benzotriazoles

McHugh, C.J. and Tackley, D.R. and Graham, D. (2002) Controlled synthesis of electron deficient nitro-1H-benzotriazoles. Heterocycles, 57 (8). pp. 1461-1470. ISSN 0385-5414

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Abstract

Nitro-1H-benzotriazole derivatives containing electron withdrawing substitutents in the ortho and meta positions to the nitro group have been synthesized by the simple and direct nitration of the parent 1H-benzotriazoles. The route of nitration and assignment of isomerism in these compounds is proposed based upon high level density functional theory (DFT) calculations.