Unexpected discovery: A new 3,3′-bipyrazolo[3,4-b]pyridine scaffold and its comprehensive analysis
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389030%3A_____%2F24%3A00600448" target="_blank" >RIV/61389030:_____/24:00600448 - isvavai.cz</a>
Alternative codes found
RIV/61989592:15310/24:73628619
Result on the web
<a href="https://doi.org/10.1016/j.heliyon.2024.e32573" target="_blank" >https://doi.org/10.1016/j.heliyon.2024.e32573</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.heliyon.2024.e32573" target="_blank" >10.1016/j.heliyon.2024.e32573</a>
Alternative languages
Result language
angličtina
Original language name
Unexpected discovery: A new 3,3′-bipyrazolo[3,4-b]pyridine scaffold and its comprehensive analysis
Original language description
In this study, a novel 3,3 '-bipyrazolo [3,4-b]pyridine-type structure was synthesized from 5-acetylamino-3-methyl-1-phenylpyrazole using the Vilsmeier-Haack reaction as a key step. The spectroscopic properties and structural elucidation of the compound were determined with the use of FT-IR, HRMS, 1H NMR, and 13C NMR. Likewise, the theoretical analysis of the IR and NMR spectra allowed peaks to be assigned and a solid correlation was demonstrated between the experimental and theoretical results. Finally, ab initio calculations based on the density functional theory method at the B3LYP/6-311G (d,p) level of theory were used to determine the conformational energy barrier, facilitating the identification of the most probable conformers of the synthesized compound. Overall, our findings contribute to the understanding of bipyrazolo [3,4b]pyridine derivatives.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10406 - Analytical chemistry
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Heliyon
ISSN
2405-8440
e-ISSN
2405-8440
Volume of the periodical
10
Issue of the periodical within the volume
11
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
9
Pages from-to
e32573
UT code for WoS article
001251466200001
EID of the result in the Scopus database
2-s2.0-85195214028