Molbank (Feb 2023)
3-(5-Phenyl-2<i>H</i>-tetrazol-2-yl)pyridine
- Ivan S. Ershov,
- Kirill A. Esikov,
- Olga M. Nesterova,
- Mariya A. Skryl’nikova,
- Andrey V. Khramchikhin,
- Nadezda T. Shmaneva,
- Ivan S. Chernov,
- Ekaterina N. Chernova,
- Aleksandra M. Puzyk,
- Eugene V. Sivtsov,
- Yuliya N. Pavlyukova,
- Rostislav E. Trifonov,
- Vladimir A. Ostrovskii
Affiliations
- Ivan S. Ershov
- Department of Chemistry and Technology of Nitrogen-Containing Organic Compounds, Saint Petersburg State Institute of Technology (Technical University), 24-26/49 Moskovsky Ave., 190013 St. Petersburg, Russia
- Kirill A. Esikov
- Department of Chemistry and Technology of Nitrogen-Containing Organic Compounds, Saint Petersburg State Institute of Technology (Technical University), 24-26/49 Moskovsky Ave., 190013 St. Petersburg, Russia
- Olga M. Nesterova
- Department of Chemistry and Technology of Nitrogen-Containing Organic Compounds, Saint Petersburg State Institute of Technology (Technical University), 24-26/49 Moskovsky Ave., 190013 St. Petersburg, Russia
- Mariya A. Skryl’nikova
- Department of Chemistry and Technology of Nitrogen-Containing Organic Compounds, Saint Petersburg State Institute of Technology (Technical University), 24-26/49 Moskovsky Ave., 190013 St. Petersburg, Russia
- Andrey V. Khramchikhin
- Department of Organic Chemistry, Saint Petersburg State Institute of Technology (Technical University), 24-26/49 Moskovsky Ave., 190013 St. Petersburg, Russia
- Nadezda T. Shmaneva
- Department of Chemistry and Technology of Nitrogen-Containing Organic Compounds, Saint Petersburg State Institute of Technology (Technical University), 24-26/49 Moskovsky Ave., 190013 St. Petersburg, Russia
- Ivan S. Chernov
- Department of Chemistry and Technology of Nitrogen-Containing Organic Compounds, Saint Petersburg State Institute of Technology (Technical University), 24-26/49 Moskovsky Ave., 190013 St. Petersburg, Russia
- Ekaterina N. Chernova
- Saint Petersburg Federal Research Center of the Russian Academy of Sciences (SPC RAS), 39, 14th Line, 199178 St. Petersburg, Russia
- Aleksandra M. Puzyk
- Research Park, Saint Petersburg State University, 26 Universitetskii Prospect, Petergof, 198504 St. Petersburg, Russia
- Eugene V. Sivtsov
- Department of Physical Chemistry, Saint Petersburg State Institute of Technology (Technical University), 24-26/49 Moskovsky Ave., 190013 St. Petersburg, Russia
- Yuliya N. Pavlyukova
- Department of Chemistry and Technology of Nitrogen-Containing Organic Compounds, Saint Petersburg State Institute of Technology (Technical University), 24-26/49 Moskovsky Ave., 190013 St. Petersburg, Russia
- Rostislav E. Trifonov
- Department of Chemistry and Technology of Nitrogen-Containing Organic Compounds, Saint Petersburg State Institute of Technology (Technical University), 24-26/49 Moskovsky Ave., 190013 St. Petersburg, Russia
- Vladimir A. Ostrovskii
- Department of Chemistry and Technology of Nitrogen-Containing Organic Compounds, Saint Petersburg State Institute of Technology (Technical University), 24-26/49 Moskovsky Ave., 190013 St. Petersburg, Russia
- DOI
- https://doi.org/10.3390/M1598
- Journal volume & issue
-
Vol. 2023,
no. 1
p. M1598
Abstract
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 1H, 13C-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.
Keywords
- 3-(5-phenyl-2<i>H</i>-tetrazol-2-yl)pyridine
- synthesis
- molecular structure
- X-ray diffraction analysis
- quantum chemistry calculation
- NMR spectroscopy
