Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 99548-55-7, Name is Methyl 4-bromo-2-methylbenzoate, molecular formula is C9H9BrO2, belongs to esters-buliding-blocks compound. In a document, author is Kua, Jeremy, introduce the new discover, Computed Properties of C9H9BrO2.
Early Steps of Glycolonitrile Oligomerization: A Free-Energy Map
Building on our previous free-energy map (J. Phys. Chem. A 2018, 122, 6769-6779) examining the reactions of monomeric glycolonitrile, we explore the formation of its dimers and trimers in aqueous solution under neutral conditions. While 5-membered rings are kinetically favored, open-chain oligomers with ester or amide linkages are thermodynamically favored. Accessing the 5-membered rings also provides a potential route to glyoxal that bypasses preforming glycolamide, the thermodynamic sink for monomers. However, finding a kinetically accessible route to glycine starting from glycolonitrile in the absence of added ammonia at room temperature proved challenging; the best case involved an intramolecular nucleophilic substitution reaction in a dimer containing neighboring imine and amide groups. Our free-energy map also examines routes to experimentally proposed moieties, explaining why some are observed in low yield or not at all.
Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 99548-55-7. Computed Properties of C9H9BrO2.