Current Organic Chemistry - Online First

The microwave-assisted synthesis of 1,3,5-triaizne (2,4,6-trichloro-1,3,5-triazine), also known as TCT analogs, is described in this review article. The reactions of TCT with different compounds that have amine functional groups or hydroxy-substituted functional groups under microwave irradiation to produce the triazine derivatives are the main topic of this review article. The microwave irradiation technique has countless benefits over the heating method, such as fast reactions, reduced reaction time from hours to minutes, fewer by-products, improved or high yields, wide temperature instability range, regioselective products, and greater energy efficiency.

Thiophene chalcone derivatives are synthesized using green synthetic methods, which are compiled in this review. Chalcones and their derivatives possess a wide spectrum of biological and pharmacological applications, which has led a lot of researchers to synthesize these compounds continuously, which in the process leads to the generation of a lot of waste that affects the environment. This is how environmentally friendly synthetic processes are used to reduce the use and production of hazardous organic materials. The main point of this review is to show the newest non-traditional ways that scientists and researchers have been able to make chalcones with sulfur heterocycles, specifically thiophene. The literature study on thiophene chalcone is valuable for researchers working on this heterocyclic compound synthesis, providing valuable information on green synthetic methods.

Heterocyclic compounds, which contain at least one heteroatom (e.g., nitrogen, oxygen, sulfur) within their ring structures, are crucial in pharmaceuticals and agrochemicals due to their bioactive properties. They serve as the core components of numerous drugs, including antibiotics, anticancer agents, and agrochemicals like pesticides. Given the increasing demand for these compounds, the need for efficient and sustainable synthetic methods has become paramount. Multicomponent reactions (MCRs) have emerged as a powerful tool for the rapid and efficient synthesis of heterocyclic frameworks. By combining three or more reactants in a single step, MCRs offer high atom economy, reduced waste, and simplified reaction protocols. Solid base catalysts have been extensively utilized to improve the sustainability of these reactions further. These catalysts, including metal oxides and supported alkali metals, provide several advantages: enhanced selectivity, ease of recovery and reuse, and minimal environmental impact. This review explores the diverse MCR strategies for heterocyclic synthesis using solid base catalysts. It highlights their role in promoting green chemistry by enabling scalable and environmentally benign processes. Key examples, such as the synthesis of imidazoles, pyridines, pyrans, pyrimidine, etc, are discussed, demonstrating these methods' efficiency and industrial relevance. Solid base catalysis ensures operational simplicity and aligns with sustainable chemistry goals, making it a cornerstone in modern heterocyclic synthesis.

Establishing the fundamental possibility of the existence of the heteroligand macrotetracyclic complexes of vanadium, chromium, manganese, and iron-containing in the inner coordination sphere phthalocyanine, oxygen (O^2-) and fluorine (F^-) ions and having general [MPc(O)F] formula (M= V, Cr, Mn, Fe), by using of quantum-chemical calculation of parameters of their molecular/electronic structures and thermodynamical characteristics. The molecular and electronic structures of the above-mentioned heteroligand macrotetracyclic chelates of 3d elements (M) of the type [MPc(O)F] (M= V, Cr, Mn, Fe) which are unknown at present, were theoretically investigated. Standard thermodynamic parameters of formation (standard enthalpy DH⁰f, 298, entropy S⁰f, 298, and Gibbs’s energy DG⁰f, 298) for these macrocyclic compounds were calculated, too. Identifying details of molecular and electronic structures of compounds indicated above. Density functional theory (DFT) model chemistries (B3PW91/TZVP and OPBE/TZVP) with a combination of the D3 version of Grimme’s dispersion. The data on the geometric parameters of the molecular structure of these complexes are presented; it was shown that MN4 chelate nodes, all metal-chelate and 6-membered non-chelate rings in each of these macrocyclic coordination compounds, are practically planar with a small deviation from coplanarity (not more 3^o); nonetheless, N4 grouping from donor nitrogen atoms and 5-membered non-chelate rings are strictly planar. Wherein, the bond angles between two donor nitrogen atoms and M atom are not equal to 90^o; a similar situation occurs for the bond angles between donor atoms N, M, and O or F (notwithstanding the bond angles formed by M, O, and F atoms are exactly 180°). Also, NBO analysis data and the values of the standard enthalpy, entropy, and Gibbs energy of the formation of these compounds were presented. Specific features of DFT calculated molecular and electronic structures of the heteroligand metal macrocyclic compounds have been discussed. It has been shown that good agreement between the parameters of molecular structures obtained by two various DFT model chemistries takes place. Also, it has been noted that predicting the possibility of the existence of exotic coordination compounds and modeling their molecular/electronic structures using modern quantum chemical calculations (and, in particular, using DFT of various levels) is a very useful tool for solving problems associated with such synthesis.