Abstract
In this study, 3β-acetoxy-17β-(1-acetyl-5-(3-pyridinyl)-3-pyrazolinyl) androat-5-ene (AAPP) was synthesized from the reaction of 21(E)-3β–acetoxy–21-(3-pyridinylidene)pregn-5-en-20-one with hydrazine hydrate in acetic acid. The structure of the compound was confirmed by UV–vis, FT-IR, 1H NMR and 13C NMR spectroscopic techniques. Optimized geometries and experimental results were interpreted by using DFT (B3LYP/6-311 + G (d,p) method). The NMR spectrum was recorded in CDCl3 and the chemical shifts of hydrogen and carbon atoms were studied experimentally as well as theoretically. Electronic properties of a molecule such as global reactivity, the frontier molecular orbital analysis, natural bond orbital (NBO) analysis, absorption-emission characteristics of the molecule were studied. Kamlet–Taft and Catalan solvatochromism of synthesized compound have been analyzed. The solvatochromic behavior of the compound was evaluated with respect to their visible absorption properties in various solvents. The chemical reactivity indices and thermodynamic properties were also evaluated.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
