Abstract
Aims: In this work, the thermal behavior and specific heat capacities of nine derivatives which were obtained via Biginellipyrimidone synthesis reaction have been experimentally determined using thermal gravimetry analysis and differential scanning calorimetry, and the obtained results have been thoroughly analyzed and discussed. The influence of the structural variation on the thermal analysis has been discussed along with the influence of the structure of the derivatives of pyrimidines on the specific heat capacity.
Background: To date, heterocycles have successfully been switched from synthetic organic chemistry laboratory to the core of a variety of biomolecules, conducting devices and so on. Derivatives of 2-hydroxypyrimidine or pyrimidines have a wide window of pharmaceutical applications. Therefore, attempts have been made to understand the thermal response of these organic frameworks.
Objectives: The main objective of this study was to explore thermal methods to understand heat-induced structural interactions as well as the specific heat capacity (Cp) as a function of temperature for the synthesized derivatives of 2-hydroxy pyrimidine or pyrimidones.
Method: Room temperature condensation of ethyl acetoacetate, urea, and variety of aldehydes or ketones has been optimized in ionic liquids for the formation of pyrimidones. Thereafter, the thermal profiles of the synthesized derivatives of pyrimidines have been studied thoroughly and the thermal response of the synthesized derivatives of pyrimidones gives sound information about thermal stability of these heterocycles.
Results: In the present work, the effect of substituents on the thermal behavior of the synthesized derivatives of pyrimidines has been investigated with the help of TGA-DSC analysis. Specific heat capacity (Cp) data as a function of temperature for the synthesized derivatives of pyrimidones have been reported for the first time.
Conclusion: The specific heat capacity data of the molecules of high commercial and biological relevance such as pyrimidines like organic frameworks play a subtle role in the development of the computational methods and molecular modelling, to comprehend the fundamentals of these molecular frameworks and effectively explore the pharmaceutical as well as materialistic potentials of these heterocyclic frameworks via simulation.
