Local nucleophile-electrophile interactions in [3+2] cycloaddition reactions between benzonitrile N-oxide and selected conjugated nitroalkenes in the light of MEDT computational study

• Main Authors: Karolina Kula, Karolina Zawadzińska
• Format: Article
• Language: English
• Published: Growing Science 2021-01-01
• Series: Current Chemistry Letters
• Subjects: [3+2] cycloaddition reaction; β-nitrostyrene analogues; δ2-isoxazolines; molecular electron density theory
• Online Access: http://www.growingscience.com/ccl/Vol10/ccl_2020_8.pdf

Indole is a hazardous substance existing in the curl oil, which released to the environment by various industrial activities; thus, decreasing its ratio from nature seems to be essential. In this study, a facial pathway for loading Cu(II) particles on MCM-41 mesoporous material was introduced as an efficient catalyst for indole oxidation. The obtained catalyst was characterized by XRD, FESEM, EDS, TEM and BET/BJH techniques. Based on Taguchi method, indole oxidation via prepared catalyst at mild condition was evaluated. By applying this method, the operating factors including Indole initial concentration (mg/L), pH value and the mass of catalyst (g) were optimized. It was found that pH plays the most crucial role in indole oxidation, on the other word, in alkaline environment; indole oxidation was happened with higher yield.