Journal
MOLBANK
Volume 2023, Issue 1, Pages -Publisher
MDPI
DOI: 10.3390/M1598
Keywords
3-(5-phenyl-2H-tetrazol-2-yl)pyridine; synthesis; molecular structure; X-ray diffraction analysis; quantum chemistry calculation; NMR spectroscopy; IR spectroscopy; UV-Vis spectroscopy; mass spectrometry; quantum chemical calculation
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3-(5-phenyl-2H-tetrazol-2-yl)pyridine was synthesized via the reaction of 5-phenyl-1H-tetrazole with pyridin-3-ylboronic acid under Chan-Evans-Lam coupling conditions. The structure and identity were confirmed by various spectroscopic techniques and TLC. The molecular structure was studied experimentally using X-ray diffraction analysis and theoretically using DFT B3LYP quantum chemistry calculation.
3-(5-Phenyl-2H-tetrazol-2-yl)pyridine was synthesized by treating 5-phenyl-1H-tetrazole with pyridin-3-ylboronic acid under Chan-Evans-Lam coupling conditions. The structure and identity were confirmed by H-1, C-13-NMR spectroscopy, IR spectroscopy, UV-Vis spectroscopy, high-resolution mass spectrometry, and TLC. The molecular structure was studied experimentally by sequential X-ray diffraction analysis and theoretically by DFT B3LYP quantum chemistry calculation.
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