Synthetic Route of C9H8O4On March 15, 2021, Sessa, Francesco; Olsson, Martina; Soederberg, Fredrik; Wang, Fang; Rahm, Martin published an article in ChemPhysChem. The article was 《Experimental Quantum Chemistry: A Hammett-inspired Fingerprinting of Substituent Effects》. The article mentions the following:
The quantum mech. calculable Q descriptor is shown to be a potent quantifier of chem. reactivity in complex mols. – it shows a strong correlation to exptl. derived field effects in non-aromatic substrates and Hammett σm and σp parameters. Models for predicting substituent effects from Q are presented and applied, including on the elusive pentazolyl substituent. The presented approach enables fast computational estimation of substituent effects, and, in extension, medium-throughput screening of mols. and compound design. An exptl. dataset is suggested as a candidate benchmark for aiding the general development and comparison of electronic structure analyses. It is here used to evaluate the exptl. quantum chem. (EQC) framework for chem. bonding anal. in larger mols. In addition to this study using 3-(Methoxycarbonyl)benzoic acid, there are many other studies that have used 3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0Synthetic Route of C9H8O4) was used in this study.
3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0) belongs to esters.Synthetic Route of C9H8O4 They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics