Turkish Journal of Chemistry
Abstract
The reactions of 4-benzoyl-5-phenyl-2,3-furandione (1a) and 4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,3-furandione (1b) with acyl hydrazines (2) (namely hydrazides) are reported. From these reactions, novel pyridazinone systems (3a-g) are obtained as well as the cyclization product of 3g at high temperature (4). The electronic properties and conformational parameters for these molecules, such as bond lengths, bond angles, torsion angles and atom charges, are calculated with a semiempirical PM3 method. In order to determine the mechanism of the reaction between the model furandion (R1) and formic hydrazide (R2), the electronic properties, conformational parameters and imaginary frequencies of the reactants, transition states and intermediates are calculated at the same level of theory as well.
DOI
-
Keywords
Hydrazide, furandione, pyridazine, semiempirical, PM3
First Page
691
Last Page
701
Recommended Citation
ÜNAL, DİLEK; SARIPINAR, EMİN; and AKÇAMUR, YUNUS (2006) "A New Method for the Preparation of Pyridazine Systems: Experimental Data and Semiempirical PM3 Calculations," Turkish Journal of Chemistry: Vol. 30: No. 6, Article 5. Available at: https://journals.tubitak.gov.tr/chem/vol30/iss6/5
