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One‐pot synthesis of 2 H ‐indazolo [2,1‐ b ]phthalazine‐triones via nano γ‐Al 2 O 3 / BF 3 / Fe 3 O 4 as an efficient catalyst and theoretical DFT study on them
Author(s) -
Mahmoodi Fard Chegeni Mahnaz,
Bamoniri Abdolhamid,
Taherpour Avat Arman
Publication year - 2020
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.3989
Subject(s) - phthalazine , chemistry , thermogravimetric analysis , transmission electron microscopy , fourier transform infrared spectroscopy , catalysis , analytical chemistry (journal) , nuclear chemistry , infrared spectroscopy , spectroscopy , acetylene , organic chemistry , nanotechnology , chemical engineering , engineering , physics , quantum mechanics , materials science
Experimental and computational studies were carried out for the synthesis of 2 H ‐indazolo[2,1‐ b ]phthalazine‐triones using γ‐Al 2 O 3 /BF 3 /Fe 3 O 4 as a nanocatalyst in optimized and solvent‐free conditions. The most significant features of the existing protocol are easy preparation of the catalyst, short reaction times, environmentally benign, and milder reaction conditions. The analysis data were reported using the experimental results of this investigation, such as: H‐NMR, FT‐IR (Fourier‐transform infrared spectroscopy), X‐ray diffraction, vibrating‐sample magnetometer, Thermal gravimetric analysis (TG‐DTG), nitrogen adsorption isotherm, Field Emission Scanning Electron Microscopy, and Transmission electron microscopy images of nanocatalyst. In this study, 2 H ‐indazolo[2,1‐ b ]phthalazine‐triones have also been theoretically investigated using DFT‐B3LYP/6‐31G method. Also, some of the physical chemistry properties have examined for conformers of products, which there was good agreement between the computational results and obtained experimental for the products.