In this study, we investigated the [3+2] cycloaddition reaction of CFCN (TFAN) with nitrilimine (NI) to produce 1,2,4-triazole and compared the resulting isomers. We determined the preferred reaction pathway by examining the electrophilic and nucleophilic properties of the reaction substrates, performing thermodynamic calculations for the individual pathways, and comparing them with the experimental results.
View Article and Find Full Text PDFExperimental and theoretical studies on the reaction between ()-3,3,3-trichloro-1-nitroprop-1-ene and -(4-bromophenyl)-C-arylnitrylimine were performed. It was found that the title process unexpectedly led to 1-(4-bromophenyl)-3-phenyl-5-nitropyrazole instead of the expected Δ-pyrazoline molecular system. This was the result of a unique CHCl elimination process.
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