AI Article Synopsis
- The study re-evaluates the reductive amination process of acetophenones specifically using the Borch approach through density functional theory calculations.
- The findings highlight the important role of the acid catalyst, not just in eliminating water but also in facilitating the initial nucleophilic attack.
- This catalytic role becomes more significant as the electron-donating ability of the substituent at the -position of acetophenone increases.
Article Abstract
The energetic viability of several mechanistic variations of the reductive amination of acetophenones the Borch approach was re-examined through density functional theory calculations. The crucial involvement of the acid catalyst is evident not only in the elimination of water, but also in the initial nucleophilic step. This role increases with the electron-donating capability of the substituent positioned at the -position of acetophenone.
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| http://dx.doi.org/10.1039/d4ob00160e | DOI Listing |
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