This work includes the synthesis of some new pyrazole derivatives from the reaction of new unsaturated carbonyl derivatives with hydrazine hydrate. -Unsaturated carbonyl derivatives which are prepared in several ways by reaction of hydrazide-hydrazone A 2 with substituted aromatic aldehydes in the presence of triethylamine as a base, and also prepared by reaction of hydrazide-hydrazone A 2 with phenylisothiocyanate and (ethyl chloro acetate or dimethyl sulfate) or A 2 with carbon disulfide and (ethyl chloro acetate or dimethyl sulfate) in the presence of potassium hydroxide in dry dimethyl formamide. The structures of these new synthesized compounds were confirmed by physical and spectroscopic methods (FT-IR, 1 H-NMR, 13 C-NMR).

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The prediction of Thermal Isomerization temperatures (IT) of benzocyclobutenes is useful for their applications in synthesis and polymerization. In this study, ITs were predicted by equations formulated from the hardness, of the products transition states or the difference between the hardness of product and transition state. Also, It's predicted from the orbital energies of the σ, σ*, π and π* orbitals of the benzocyclobutenes.