ENHANCED REACTIVITY OF PYRIDIN-3-OL TOWARDS 4-PHENYL-1,2,4-TRIAZOLINE-3,5-DIONE: FMO TREATMENT OF THE CYCLOADDITION PROCESS BY ASED-MO CALCULATIONS METHOD

El-Abbady, Samia; Abdulhalima, Mohamed; Awad, Mohmed; Moustafa, Ahmed

doi:10.21608/zjps.1996.185060

ENHANCED REACTIVITY OF PYRIDIN-3-OL TOWARDS 4-PHENYL-1,2,4-TRIAZOLINE-3,5-DIONE: FMO TREATMENT OF THE CYCLOADDITION PROCESS BY ASED-MO CALCULATIONS METHOD

Document Type : Original Article

Authors

¹ a Departments of Chemistry, University College for Girls and Faculty of Engineering , Ain Shams University, Cairo, Egypt.

² Departments of Chemistry, University College for Girls and Faculty of Engineering , Ain Shams University, Cairo, Egypt.

³ Faculty of Applied Sciences, Umm Al-Qura University, Makkah, Saudi Arabia.

10.21608/zjps.1996.185060

Abstract

Pyridin-3-ol reacted readily as 4 π electrocyclic component across the 2- and 6-positions of the pyridine ring with the potent azo-dipolarophile: 1,2,4-triazoline -3,5-dione. Structural and configuration assignments were deduced from elemental and spectral evidence. FMO treatment of the enhanced 1,3-dipolar character of pyridin-3-ol towards the cis-azo-dipolarophile was performed using ASED-MO calculations method.