Regioselectivity of conjugate additions to monoalkyl-1,4-benzoquinones [PDF]
Journal of the Serbian Chemical Society, 2002 The regioselectivity of the reaction of conjugate addition of thiols amines, methanol and hydrogen chloride with the monoalkyl-1,4-benzoquinones avarone and 2-tert-butyl- 1,4-benzoquinone was investigated.
Božić Tatjana T. +5 more
doaj +4 more sources
Electronic and steric effects of phosphine ligands on the linear regioselectivity of propylene methoxycarbonylation [PDF]
Communications ChemistryThe propylene methoxycarbonylation is a potential atom-economical reaction for the synthesis of butyrate esters, which minimizes wastewater discharge and alleviates subsequent separation difficulties.
Chao Kong +3 more
doaj +2 more sources
Superseding Substrate Control with Catalyst Control to Improve Regioselectivity in Aryne Annulations [PDF]
, 2022 The utility of reactions using unsymmetrically substituted aryne intermediates is negatively impacted by issues with regioselectivity. There have been numerous reports about how to enhance or reverse this regioselectivity in metal-free aryne reactions by
Brylon, Denman +2 more
core +2 more sources
Can we predict ambident regioselectivity using the chemical hardness? [PDF]
, 2023 The hard/soft acid/base (HSAB) principle is a cornerstone in our understanding of chemical reactivity preferences. Motivated by the success of the original (e.g., "global") version of this rule, a "local" counterpart was readily proposed to account for ...
Ramon, Miranda-Quintana +7 more
core +1 more source
Reverse Regioselectivity in Reductive Ring Opening of Epoxide Enabled by Zirconocene and Photoredox Catalysis [PDF]
, 2021 A ring opening of epoxide with zirconocene and photoredox catalysis has been developed. Compared to the ring opening methods with titanocene, the present protocol exhibited reverse regioselectivity to afford more-substituted alcohols via putative less ...
Eisuke, Ota +5 more
core +2 more sources
SNAr Regioselectivity Predictions: Machine Learning Trigger-ing DFT Reaction Modeling through Statistical Threshold [PDF]
, 2022 Fast and accurate prospective predictions of the regioselectivity can significantly reduce the time and resources spent on unproductive transformations in the pharmaceutical industry.
Shu, Yu +4 more
core +1 more source
Understanding a substrate's product regioselectivity in a family of enzymes: a case study of acetaminophen binding in cytochrome P450s. [PDF]
PLoS ONE, 2014 Product regioselectivity as influenced by molecular recognition is a key aspect of enzyme catalysis. We applied large-scale two-dimensional (2D) umbrella sampling (USP) simulations to characterize acetaminophen (APAP) binding in the active sites of the ...
Yue Yang +2 more
doaj +1 more source
Reactivity, Regioselectivity, and Synthetic Application of 2-Pyrenyl Units in Scholl Reactions [PDF]
, 2023 We herein report the reactivity and regioselectivity of 2-pyrenyl as a coupling unit in Scholl reactions. On the basis of the Scholl reactions of hexaarylbenzene substrates, we have found that pyrenyl units are preferably oxidized over naphthyl and ...
Han, Chen +5 more
core +2 more sources
Reversal of Regioselectivity in Reactions of Donor-Acceptor Cyclopropanes with Eelectrophilic Olefins [PDF]
, 2021 Cyclopropanes bearing donor and acceptor groups at the opposite ends of the C-C bond should react with both nucleophiles and electrophiles. Their reactivity towards nucleophiles is well explored while only few specific electrophilic reagents give desired
Jakub, Durka +3 more
core +2 more sources
Photochemical Regiodivergent Functionalization of Quinolines with Aryl Ketones [PDF]
Advanced scienceA photocatalytic system‐controlled approach enables regiodivergent C2‐ and C4‐functionalization of quinolines with aryl ketones by optimizing aryl thiol photocatalysts and formate reductants. Using ortho‐(isopropoxycarbonyl)thiophenol with excess formate facilitates C4‐dearomatization, yielding bridged 1,3‐oxazepanes. In contrast, meta‐(methoxycarbonyl)
Zhao Y +6 more
europepmc +2 more sources