Pyrolysis and oxidative decomposition mechanism of trifluoromethylated fused triazinones

The pyrolysis and oxidative decomposition courses of a novel class of trifluoromethylated fused triazinones by using a Simultaneous thermal analysis (STA) coupled online with the Fourier transform infrared spectroscopy (FTIR) and the Quadrupole mass spectrometry (QMS) were determined. It was found that the pyrolysis and oxidation processes of these compounds run through simultaneous, radical processes in one, main stage in both: helium and air atmospheres. The FTIR and QMS analyses allowed confirming the simultaneous cleavage of C-CF3, C-N, N-N, and C-Cl bonds, formation of radical intermediates, reactions of radical intermediates with each other in a gaseous phase leading to the formation of final volatile products such as RNCO, CF3CN, CF3H, HCOCOH, alkenes, aromatic amine derivatives, CO2 and H2O in inert conditions as well as RNCO, CF3CN, CF3H, HCOCOH, alkenes, aromatic amine derivatives, CO2, CO and H2O in oxidative conditions. Moreover, the favourable thermal properties and high purity were highlighted in evaluating the suitability of trifluoromethylated compounds as potential candidates for pharmaceutical applications.

Automated summary

The pyrolysis and oxidative decomposition processes of a novel class of trifluoromethylated fused triazinones were studied using Simultaneous thermal analysis (STA) coupled online with Fourier transform infrared spectroscopy (FTIR) and Quadrupole mass spectrometry (QMS). It was found that these processes involved simultaneous, radical processes in both helium and air atmospheres, leading to the formation of various volatile products through bond cleavage and radical intermediate reactions. Additionally, the thermal properties and purity of trifluoromethylated compounds were highlighted for potential pharmaceutical applications.