title: Novel pyranopyrazoles: synthesis and theoretical studies.
abstract: A series of pyranopyrazoles, namely, 7-(2-aminoethyl)-3,4-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one (2), (Z)-3,4-dimethyl-1-(4-((4-nitrobenzylidene)amino)phenyl)pyrano[2,3-c]pyrazol-6(1H)-one (5), 1-(4-(3,4-dimethyl-6-oxopyrano[2,3-c]pyrazol-1(6H)-yl)phenyl)-3-(naphthalen-1-yl)urea (6), (Z)-ethyl 4-((3,4-dimethyl-6-oxo-1,6-dihydropyrano[2,3-c]pyrazol-5-yl)diazenyl)benzoate (8) and 3,4-dimethyl-N-(naphthalen-1-yl)-6-oxopyrano[2,3-c]pyrazole-1(6H)-carboxamide (9) were synthesized and characterized by means of their UV-VIS, FT-IR, ¹H-NMR and ¹³C-NMR spectral data. Density Functional Theory calculations of the synthesized pyranopyrazoles were performed using molecular structures with optimized geometries. Molecular orbital calculations have provided detail description of the orbitals, including spatial characteristics, nodal patterns, and the contributions of individual atoms.
authors.affiliation: Applied Chemistry Division, Applied Science Department, University of Technology-UOT, Baghdad 10001, Iraq. dr.ahmed1975@gmail.com
authors.forename: Ahmed A
authors.initials: AA
authors.lastname: Al-Amiery
authors.forename: Redah I
authors.initials: RI
authors.lastname: Al-Bayati
authors.forename: Fouad M
authors.initials: FM
authors.lastname: Saed
authors.forename: Wassan B
authors.initials: WB
authors.lastname: Ali
authors.forename: Abdul Amir H
authors.initials: AA
authors.lastname: Kadhum
authors.forename: Abu Bakar
authors.initials: AB
authors.lastname: Mohamad
mesh_terms: D005029:Ethylenediamines / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D015394:Molecular Structure; D011720:Pyrazoles / Q000138:chemical synthesis* / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared
chemical_list: D005029:Ethylenediamines; D011720:Pyrazoles; C031234:ethylenediamine