Abstract

The arylhydrazones were treated with ethyl iodide, ethyl chloroacetate to afford the alkyl derivatives, which cyclized to the pyrazole derivatives, also, arylhydrazones were reacted with ethyl chloroformate to furnish the triazindione derivative. Reactions of arylhydrazones with hydroxylamine hydrochloride afforded the oxime derivative. Treatment of arylhydrazones with binucleophile reagents such as hydrazine hydrate and phenyl hydrazine gives the pyrazole derivatives. Treated of arylidine derivatives with malononitrile and hydrazine hydrate afforded the 4H-pyrane derivatives and pyrazole derivatives. The theoretical calculations optimization and frequency of synthesized compounds by Gaussian 09 with DFT by B3LYP method. The base set 6–31 G (d,p) to obtain descriptors explains the reactivity or stability of the synthesized compounds. It predicts the relation between theoretical descriptors computed which agree with experimental data.

摘要

芳基腙用碘乙烷、氯乙酸乙酯处理得到烷基衍生物，其环化为吡唑衍生物，同时芳基腙与氯甲酸乙酯反应得到三嗪二酮衍生物。芳基腙与盐酸羟胺反应得到肟衍生物。用双亲核试剂如水合肼和苯肼处理芳基腙得到吡唑衍生物。用丙二腈和水合肼处理芳基衍生物，得到4H-吡喃衍生物和吡唑衍生物。Gaussian 09 与 DFT 的 B3LYP 方法的理论计算优化和合成化合物的频率。用于获得描述符的基本组 6–31 G (d,p) 解释了合成化合物的反应性或稳定性。