Experimental and Computational Studies on N-alkylation Reaction of N-Benzoyl 5-(Aminomethyl)Tetrazole
نویسندگان
چکیده
The N-alkylation reaction of N-benzoyl 5-(aminomethyl)tetrazole (5-AMT) with benzyl bromide was carried out in the presence K2CO3 as a base. Two separable regioisomers were obtained, thus their purification led to determine proportion each them, and structures attributed essentially based on 1H 13C NMR spectroscopy addition elemental analysis MS data. In order confirm results obtained at synthesis level, computational study by application density functional theory (DFT) using Becke three-parameter hybrid exchange Lee-Yang-Parr correlation (B3LYP).
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ژورنال
عنوان ژورنال: Chemistry
سال: 2021
ISSN: ['2624-8549']
DOI: https://doi.org/10.3390/chemistry3030049