Fernandez-Gonzalez, Miguel Angel published the artcileThe concept of substituent-induced force in the rationale of substituent effect, Synthetic Route of 10287-53-3, the publication is Journal of Chemical Physics (2021), 154(22), 224106, database is CAplus and MEDLINE.
Controlling the thermochem. and kinetics of chem. reactions is a central problem in chem. Among factors permitting this control, the substituent effect constitutes a remarkable example. Here, we develop a model accounting for the effect of a substituent on the potential energy surface of the substrate (i.e., substituted mol.). We show that substituents affect the substrate by exerting forces on the nuclei. These substituent-induced forces are able to develop a work when the mol. follows a given reaction path. By applying a simple mech. model, it becomes possible to quantify this work, which corresponds to the energy variation due to the effect of the substituent along a specific pathway. Our model accounts for the Hammett equation as a particular case, providing the first non-empirical scale for the σ and ρ constants, which, in the developed model, are related to the forces exerted by the substituents (σ) and the reaction path length (ρ), giving their product (σ · ρ) the well-known variation on the reaction energy due to the substituent. (c) 2021 American Institute of Physics.
Journal of Chemical Physics published new progress about 10287-53-3. 10287-53-3 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Ester, name is Ethyl 4-dimethylaminobenzoate, and the molecular formula is C11H15NO2, Synthetic Route of 10287-53-3.
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https://en.wikipedia.org/wiki/Ester,
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