EVALUATION OF THE HYDROGENATION CATALYSTS PERFORMANCE BY ANALYSIS OF THE PROBE REACTION PRODUCTS DISTRIBUTION

Авторы

  • Mykyta O. Ivanytsya L. V. Pisarzhevskii Institute of Physical Chemistry, National Academy of Sciences of Ukraine, 31 Nauky Ave., Kyiv 03028. Enamine Ltd., 78 Winston Churchill St., Kyiv 02094
  • Alina O. Gorlova Institute of Organic Chemistry, National Academy of Sciences of Ukraine, Akademika Kuharya St, 5, Kyiv, Ukraine, 02094
  • Oleksiy V. Shvets L. V. Pisarzhevskii Institute of Physical Chemistry, National Academy of Sciences of Ukraine, 31 Nauky Ave., Kyiv 03028
  • Oleksiy V. Khavryuchenko Institute of Organic Chemistry, National Academy of Sciences of Ukraine, 5 Akademika Kukharya St., Kyiv 02094
  • Serhiy V. Ryabukhin Enamine Ltd., 78 Winston Churchill St., Kyiv 02094. Institute of Organic Chemistry, National Academy of Sciences of Ukraine, 5 Akademika Kukharya St., Kyiv 02094. Taras Shevchenko National University of Kyiv, 60 Volodymyrska St., Kyiv 01033
  • Dmytro M. Volochnyuk Enamine Ltd., 78 Winston Churchill St., Kyiv 02094. Institute of Organic Chemistry, National Academy of Sciences of Ukraine, 5 Akademika Kukharya St., Kyiv 02094. Taras Shevchenko National University of Kyiv, 60 Volodymyrska St., Kyiv 01033
  • Sergey V. Kolotilov L. V. Pisarzhevskii Institute of Physical Chemistry, National Academy of Sciences of Ukraine, 31 Nauky Ave., Kyiv 03028. Enamine Ltd., 78 Winston Churchill St., Kyiv 02094

Ключевые слова:

heteroaromatic pyridines, hydrodechlorination, nitro-group reduction, pyridine ring hydrogenation, supported palladium catalysts, palladium on carbon, GC–MS product profiling, quality control, probe-reaction fingerprinting, chloronitropyridines

Аннотация

We propose a two-temperature probe-reaction ''fingerprint'' for supported metal nanoparticles catalysts using 6-chloro-3-nitropyridine as substrate. Its reactivity with hydrogen branches between hydrodechlorination, nitro/ring reduction, and deep hydrogenation. GC-MS readouts are expressed as a 12-label set (unreacted, products); centered log-ratio (CLR) profiles at 25 and 50°C are differenced to give a temperature-response vector (ΔCLR). Applied to eight commercial 5 wt % Pd/C catalysts (BASF and Evonik toolkits; H2 30 bar, THF), ΔCLR separates samples by which reaction branch becomes more discriminating upon raising temperature from 25 to 50°C – dechlorination-leaning vs deep hydrogenation-leaning – beyond simple increases in conversion. For quick screening we report conversion, conversion + Cl-free products total, and conversion + selected deep hydrogenation products. Texture/morphology descriptors (SBET, Vmic, Vmeso; Median, CV, TailRatio, area fractions) provide orthogonal quality control, but do not by themselves reproduce ΔCLR groupings. Retention-time labels and inlet-mitigation measures support portability. The workflow enables lot identity checks and early catalyst selection.

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Опубликован

2026-02-24

Выпуск

Том 61 № 9/10 (2025): Modern catalytic approaches for the assembly and functionalization of heterocyclic compounds

Раздел

Оригинальные статьи