Heteroatom Chemistry · 2004 · 13 citations · 5 references
PharmacyChemistryMedicinal ChemistryComputational ChemistryComputational Medicinal ChemistrySynthetic Medicinal ChemistryHeterocyclic ChemistryMolecular ModelingThiazole ChemistryThiazole Synthesis
Abstract The novel 4 H ‐thiazolo[3,2‐ d ][1,5]benzodiazepinium salts have been synthesized in a single step by the reaction of the variously substituted 2,3,4,5‐tetrahydro‐1,5‐benzodiazepine‐2(1 H )‐thiones and bromoacetaldehyde diethyl acetal. Cyclization is obviously influenced by the nature of the substituents in the benzodiazepine system. Theoretical modeling and B3LYP DFT computational studies are presented. © 2004 Wiley Periodicals, Inc. Heteroatom Chem 15:363–368, 2004; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.20026
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General atomic and molecular electronic structure system
Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations
Natural Sciences, Chemistry, Physics +17