Safronov, Sergey P.; Nagrimanov, Ruslan N.; Samatov, Aizat A.; Emel’yanenko, Vladimir N.; Zaitsau, Dzmitry H.; Pimerzin, Andrey A.; Skrzypczak, Andrzej; Verevkin, Sergey P. published an article on January 31 ,2019. The article was titled 《Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods》, and you may find the article in Journal of Chemical Thermodynamics.Reference of 1-Methylpyrazole The information in the text is summarized as follows:
The standard molar enthalpies of vaporization of alkyl-pyrazoles were derived from their vapor pressure-temperature dependence measured by the transpiration method as well as indirectly using solution calorimetry. Thermodn. data on vaporization processes available in the literature were collected, evaluated, and combined with our own exptl. results. Addnl. combustion experiments on the highly pure 1-methyl-pyrazoles helped to resolve ambiguity in the enthalpy of formation for this compound We have evaluated and recommended a set of vaporization and formation enthalpies for the alkyl-pyrazoles at 298.15 K as the reliable benchmark properties for further thermochem. calculations Gas phase molar enthalpies of formation of alkyl-pyrazoles calculated by the high-level quantum-chem. G4 and G3MP2 methods were in an excellent agreement with the recommended exptl. data. The hydrogenation/dehydrogenation reaction enthalpies of alkyl-pyrazoles were calculated and compared with the data for other potential liquid organic hydrogen carriers. In addition to this study using 1-Methylpyrazole, there are many other studies that have used 1-Methylpyrazole(cas: 930-36-9Reference of 1-Methylpyrazole) was used in this study.
1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Reference of 1-Methylpyrazole
Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics