Dotson, Jordan J. published the artcileA data-driven approach to the development and understanding of chiroptical sensors for alcohols with remote γ-stereocenters, Quality Control of 1420830-61-0, the publication is Journal of the American Chemical Society (2021), 143(45), 19187-19198, database is CAplus and MEDLINE.
Dynamic covalent chem.-based sensors have recently emerged as powerful tools to rapidly determine the enantiomeric excess of organic small mols. While a bevy of sensors have been developed, those for flexible mols. with stereocenters remote to the functional group that binds the chiroptical sensor remain scarce. In this study, we develop an iterative, data-driven workflow to design and analyze a chiroptical sensor capable of assessing challenging acyclic γ-stereogenic alcs. Following sensor optimization, the mechanism of sensing was probed with a combination of computational parametrization of the sensor mols., statistical modeling, and high-level d. functional theory (DFT) calculations These were used to elucidate the mechanism of stereochem. recognition and revealed that competing attractive noncovalent interactions (NCIs) determine the overall performance of the sensor. It is anticipated that the data-driven workflows developed herein will be generally applicable to the development and understanding of dynamic covalent and supramol. sensors. Dynamic covalent chem.-based sensors have recently emerged as powerful tools to rapidly determine the enantiomeric excess of organic small mols. While a bevy of sensors have been developed, those for flexible mols. with stereocenters remote to the functional group that binds the chiroptical sensor remain scarce. In this study, we develop an iterative, data-driven workflow to design and analyze a chiroptical sensor capable of assessing challenging acyclic γ-stereogenic alcs. Following sensor optimization, the mechanism of sensing was probed with a combination of computational parameterization of the sensor mols., statistical modeling, and high-level d. functional theory (DFT) calculations These were used to elucidate the mechanism of stereochem. recognition and revealed that competing attractive non-covalent interactions (NCIs) determine the overall performance of the sensor. It is anticipated that the data-driven workflows developed herein will be generally applicable to the development and understanding of dynamic covalent and supramol. sensors.
Journal of the American Chemical Society published new progress about 1420830-61-0. 1420830-61-0 belongs to pyridine-derivatives, auxiliary class Trifluoromethyl,Pyridine,Fluoride,Boronic acid and ester,Ether,Boronic Acids,Boronic acid and ester,, name is [6-Methoxy-5-(trifluoromethyl)pyridin-3-yl]boronic acid, and the molecular formula is C7H7BF3NO3, Quality Control of 1420830-61-0.
Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem