5-Vinyl-1IH/I-tetrazole

• Published in: MolBank Vol. 2023; no. 1
• Main Authors: Krygina, Daria M, Sivtsov, Eugene V, Pavlyukova, Yuliya N, Chernova, Ekaterina N, Skryl’nikova, Mariya A, Baigildin, Vadim A, Puzyk, Aleksandra M, Oskorbyn, Alexander A, Trifonov, Rostislav E, Aleshunin, Pavel A, Ostrovskii, Vladimir A
• Format: Journal Article
• Language: English
• Published: MDPI AG 01-01-2023
• Subjects: Analysis; Azoles (Class of compounds); Calorimetry; Chemical synthesis; Diffraction; Identification and classification; Mass spectrometry; Methods; Nitrogen compounds; Nuclear magnetic resonance; Structure; X-rays; Russia
• ISSN: 1422-8599; 1422-8599
• DOI: 10.3390/M1565

Highly purified 5-vinyl-1H-tetrazole was synthesized, which is in great demand in modern medicine and industry as a monomer for obtaining nitrogen-rich macromolecular compounds and a reagent for the complete synthesis of biological compounds. The molecular structure was studied experimentally with sequential X-ray diffraction analysis and theoretically with ab initio quantum chemical calculations. The data from differential scanning calorimetry, nuclear magnetic resonance ([sup.1] H, [sup.13] C, [sup.1] H-[sup.15] N, HMBC), high-resolution mass spectrometry and vibrational spectroscopy were analyzed. The results are useful for evaluating the possibility of extending the polymerization of 5-vinyl-1H-tetrazole to synthesize polymers with predictable molecular weight and thermodynamic parameters.