| Autor: |
Alexey V, Nelyubin, Nikita A, Selivanov, Alexander Yu, Bykov, Ilya N, Klyukin, Alexander S, Novikov, Andrey P, Zhdanov, Natalia Yu, Karpechenko, Mikhail S, Grigoriev, Konstantin Yu, Zhizhin, Nikolay T, Kuznetsov |
| Rok vydání: |
2021 |
| Předmět: |
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| Zdroj: |
International Journal of Molecular Sciences |
| ISSN: |
1422-0067 |
| Popis: |
In the present work, a convenient and straightforward approach to the preparation of borylated amidines based on the closo-dodecaborate anion [B12H11NCCH3NHR]−, R=H, Alk, Ar was developed. This method has two stages. A nitrile derivative of the general form [B12H11NCCH3]− was obtained, using a modified technique, in the first stage. On the second stage the resulting molecular system interacted with primary amines to form the target amidine products. This approach is characterised by a simple chemical apparatus, mild conditions and high yields of the final products. The mechanism of the addition of amine to the nitrile derivative of the closo-dodecaborate anion was studied, using quantum-chemical methods. The interaction between NH3 and [B12H11NCCH3]− ammonia was chosen as an example. It was found that the structure of the transition state determines the stereo-selectivity of the process. A study of the biological properties of borylated amidine sodium salts indicated that the substances had low toxicity and could accumulate in cancer cells in significant amounts. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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