Methyl 2-oxocyclohexanecarboxylate

Catsyn offer gram to tons of Methyl 2-oxocyclohexanecarboxylate | CAS 41302-34-5, its formula is C8H12O3, molecular weight is 156.18g/mol and the purity is usually 98% Min..

Synonyms : 2-METHOXYCARBONYLCYCLOHEXANONE;2-OXO-CYCLOHEXANECARBOXYLIC ACID METHYL ESTER;CYCLOHEXANECARBOXYLIC ACID, 2-OXO-, METHYL ESTER;METHYL 2-OXOCYCLOHEXANE-1-CARBOXYLATE;METHYL 2-OXOCYCLOHEXANECARBOXYLATE;METHYL CYCLOHEXANONE-2-CARBOXYLATE

This substance (CAS No.: 41302-34-5), used as a catalyst and ligand, typically contains heteroatoms (such as nitrogen, oxygen, and phosphorus) or conjugated π systems with lone pairs of electrons in its molecular structure. It can regulate the electron distribution of the reactive center through electronic effects (such as inductive and conjugated effects). Its physicochemical properties include moderate solubility in common organic solvents, melting and boiling points depending on molecular weight and crystallinity, and low surface tension that facilitates contact with reactants. Regarding electronic effects, electron-donating groups enhance the electron density of the metal center, improving redox capabilities; electron-withdrawing groups reduce electron density, optimizing intermediate stability. In its energy level structure, the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) is small, facilitating electron transitions. The presence of conjugated systems (such as aromatic rings or double bonds) further expands the delocalization range of π electrons, enhancing the ligand field strength. In terms of stability, the synergistic effect of steric hindrance and electronic effects can suppress side reactions and extend catalyst lifetime. Regarding coordination performance, its multidentate coordination structure (such as bidentate and tripentate) forms stable complexes through chelation effects, reducing the risk of metal ion loss, while simultaneously regulating product configuration through stereoselectivity. Catalytic activity is characterized by high selectivity for specific reactions (such as hydrogenation, coupling, and epoxidation), stemming from its ability to precisely control reaction pathways. This substance has significant application value in materials science, organic synthesis, and OLED fields. As a catalyst, its core function is to accelerate chemical reaction rates and improve the selectivity of target products. For example, in asymmetric hydrogenation reactions, it induces the generation of products with high enantiomeric excess values through chiral ligands, significantly improving drug synthesis efficiency; in cross-coupling reactions (such as the Suzuki and Heck reactions), it acts as a ligand to enhance the activity of metal catalysts, reduce reaction temperature and pressure, and decrease energy consumption. In the OLED field, it can be used as a ligand to construct highly efficient phosphorescent or thermally activated delayed fluorescence (TADF) materials. By regulating the energy level matching between the metal center and the ligand, exciton utilization can be optimized to achieve high color purity and long lifetime light-emitting devices. Its industry value lies in its multifunctional adaptability: shortening process flows and reducing waste emissions in chemical production; promoting the green synthesis of chiral drugs in the pharmaceutical field; and facilitating the development of high-resolution, low-power display devices in display technology. Its structural designability (such as the introduction of different substituents) further expands its potential for customized applications in catalysis and materials.