From Chemistry Towards Technology Step-By-Step From Chemistry Towards Technology Step-By-Step От химии к технологии шаг за шагом 2782-1900 109567 10.52957/2782-1900-2025-6-4-83-89 Научные статьи Scientific articles Научные статьи Synthesis, structure, properties of 1,2,4,5-tetrazines Synthesis, structure, properties of 1,2,4,5-tetrazines Котов Александр Дмитриевич Kotov Aleksandr Dmitrievich kotad@mail.ru

доктор технических наук;

doctor of technical sciences;

 Самаренкова Дарья Юрьевна Samarenkova Dar'ya Yur'evna Васильева Елена Андреевна Vasil'eva Elena Andreevna Проскурина Ирина Константиновна Proskurina Irina Konstantinovna

кандидат биологических наук;

candidate of sciences in biology;

 Ярославский государственный педагогический университет им. К.Д. Ушинского Yaroslavl State Pedagogical University named after K.D. Ushinsky 10 01 2026 10 01 2026 6 4 83 89 10 09 2025 10 11 2025 https://chemintech.ru/en/nauka/article/109567/view

The paper discusses the synthesis of 3,6-diaryl-1,2,4,5-tetrazines by the reaction of aromatic nitriles with hydrazine hydrate in the presence of elemental sulphur. We study the structure of synthesised dihydro-1,2,4,5-tetrazines by 1H NMR spectroscopy, quantum chemical modelling, and the density functional method with a basis set of 6-31G (d,p) basis set. As a result, 1,4-dihydro- are similar to 1,2-dihydrotetrazines in terms of their total energy values. Additionally, the equilibrium in a mixture is in approximately equal amounts for most their substrates. The corresponding 3,6-diaryl-1,2,4,5-tetrazines were synthesised by oxidising the obtained dihydro-1,2,4,5-tetrazines with sodium nitrite in glacial acetic acid. Their structure was confirmed by 1H NMR spectroscopy. The authors forecast effective binding to receptors and enzymes for all synthesised target compounds.

The paper discusses the synthesis of 3,6-diaryl-1,2,4,5-tetrazines by the reaction of aromatic nitriles with hydrazine hydrate in the presence of elemental sulphur. We study the structure of synthesised dihydro-1,2,4,5-tetrazines by 1H NMR spectroscopy, quantum chemical modelling, and the density functional method with a basis set of 6-31G (d,p) basis set. As a result, 1,4-dihydro- are similar to 1,2-dihydrotetrazines in terms of their total energy values. Additionally, the equilibrium in a mixture is in approximately equal amounts for most their substrates. The corresponding 3,6-diaryl-1,2,4,5-tetrazines were synthesised by oxidising the obtained dihydro-1,2,4,5-tetrazines with sodium nitrite in glacial acetic acid. Their structure was confirmed by 1H NMR spectroscopy. The authors forecast effective binding to receptors and enzymes for all synthesised target compounds.

 1 2 4 5-tetrazines aromatic nitriles hydrazine hydrate dihydrotetrazines oxidation reactions 1 2 4 5-tetrazines aromatic nitriles hydrazine hydrate dihydrotetrazines oxidation reactions

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