Controlling the Regioselectivity of Baeyer–Villiger Monooxygenases by Mutation of Active‐Site Residues
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DOI: 10.1002/cbic.201700223
Abstract: Baeyer–Villiger monooxygenase (BVMO)‐mediated regiodivergent conversions of asymmetric ketones can lead to the formation of “normal” or “abnormal” lactones. In a previous study, we were able to change the regioselectivity of a BVMO by mutation of… read more here.
Keywords: site residues; mutation active; baeyer villiger; regioselectivity ... See more keywords
Palladium‐Catalyzed Isomerization/(Cyclo)carbonylation of Pentenamides: a Mechanistic Study of the Chemo‐ and Regioselectivity
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DOI: 10.1002/cctc.201700345
Abstract: A new isomerizing ring‐closing amidocarbonylation reaction is reported using Pd catalysis with bulky diphosphane ligands. From terminal as well as internal pentenamide isomers (PAs), cyclic imides were obtained in good yield (92 %) with cationic Pd… read more here.
Keywords: isomerization cyclo; regioselectivity; study; isomerization ... See more keywords
The Integral Role of Conjugate Acids in Brønsted Base‐Catalyzed Regiodivergent Synthesis
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DOI: 10.1002/cctc.202400405
Abstract: Catalyst‐controlled diversity‐oriented synthesis (CatDOS) is an important research area for expanding molecular complexities and achieving high atomic economics. Many regiodivergent syntheses have been achieved through metal catalysis, covalent organocatalysis, and non‐covalent organocatalysis by controlling the… read more here.
Keywords: nsted base; regioselectivity; organocatalysis; conjugate acids ... See more keywords
Switching of Regioselectivity in a Perfluorohexyl Iodide Mediated Synthesis of Phenylimidazo[1,2‐a]pyridines
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DOI: 10.1002/ejoc.201601586
Abstract: An array of 3-phenylimidazo[1,2-a]pyridines has been synthesized via perfluorohexyl iodide-mediated coupling of 2-aminopyridines and phenylacetylenes. In-situ iodination of the terminal alkyne by perfluorohexyl iodide reverses the polarity by generating a transient electrophilic iodoalkyne, altering the… read more here.
Keywords: perfluorohexyl; phenylimidazo pyridines; regioselectivity; iodide mediated ... See more keywords
Regioelective Hydroformylation of an α,β‐Unsaturated Ester: Spectroscopic Studies on Catalytic Species and the Influence of Ligands on Regioselectivity
Sign Up to like & getrecommendations! Published in 2025 at "European Journal of Organic Chemistry"
DOI: 10.1002/ejoc.202401115
Abstract: Hydroformylation of α,β‑unsaturated esters is an atom‐economical route towards aldehydes as precursors for pharmaceuticals. In this work, regioselective hydroformylation of an α,β‑unsaturated ester to the β‑aldehyde was initially re‐evaluated using a commercial Rh catalyst sample named… read more here.
Keywords: regioselectivity; hydroformylation unsaturated; hydroformylation; phosphine free ... See more keywords
Regioselective Hydroformylation of α,β‐Unsaturated Esters: Impact of Reaction Parameters & Reaction Optimization
Sign Up to like & getrecommendations! Published in 2025 at "European Journal of Organic Chemistry"
DOI: 10.1002/ejoc.202401116
Abstract: The hydroformylation of α,β‑unsaturated esters represents a highly atom‐economical route towards β‑aldehydes with the potential application as precursors for derivatization to pharmaceuticals such as (R)‑Baclofen or Pregabalin. Methyl 4‐chlorocinnamate as an α,β‑unsaturated ester has been… read more here.
Keywords: reaction; regioselectivity; hydroformylation unsaturated; selectivity ... See more keywords
Exploring the regioselectivity in the cycloaddition of azides to alkynes catalyzed by dinuclear copper clusters (Cu2AAC reaction) using the topologies of ∇2ρ (r) and ∇∇2ρ (r)
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-017-3500-z
Abstract: The regioselectivity of the dinuclear-Cu(I)-catalyzed version of the Huisgen reaction, abbreviated in this paper to Cu2AAC, was analyzed using quantum topological methods in order to study how the electronic charge distribution evolved along different reaction… read more here.
Keywords: regioselectivity; exploring regioselectivity; copper; cycloaddition azides ... See more keywords
Computational insight into the mechanism and origin of high regioselectivity in the ring-opening cyclization of spirocyclopropanes with stabilized sulfonium ylides by the DFT
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-020-04522-1
Abstract: Chromanes with high bioactivity play an important role in nature, and cyclization reactions of cyclopropanes with sulfonium ylides to form chromane skeletons have attracted great attention of scientists. The mechanism as well as origins of… read more here.
Keywords: ring opening; regioselectivity; cyclization; opening cyclization ... See more keywords
Mechanistic Origins of Regioselectivity in Cobalt-Catalyzed C(sp2)-H Borylation of Benzoate Esters and Arylboronate Esters.
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DOI: 10.1016/j.chempr.2020.11.017
Abstract: Synthetic and mechanistic investigations into the C(sp2)-H borylation of various electronically diverse arenes catalyzed by bis(phosphine)pyridine (iPrPNP) cobalt complexes are reported. Borylation of various benzoate esters and arylboronate esters gave remarkably high selectivities for the… read more here.
Keywords: borylation; regioselectivity; sp2 borylation; benzoate esters ... See more keywords
Unexpected regioselectivity in the photocyclization of a chiral 2,3-bisbenzylidenesuccinate, leading to a podophyllotoxin related cyclolignan
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Photochemistry and Photobiology A: Chemistry"
DOI: 10.1016/j.jphotochem.2018.06.023
Abstract: Abstract The Stobbe condensation between 3′,4′,5′-trimethoxyacetophenone and a benzylidenesuccinate derived from piperonal gave the Z,E-2,3-bisbenzylidenesuccinate as the only product. Such regioselectivity was explained by considering the Newman’s projections of the transition states of this reaction.… read more here.
Keywords: regioselectivity photocyclization; photocyclization chiral; regioselectivity; cyclolignan ... See more keywords
Computational study on C1- versus C3-regioselectivity in Pd(II)-catalyzed olefination/dearomatization of 2-naphthyl ureas
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DOI: 10.1016/j.mcat.2019.110540
Abstract: Abstract The regioselectivity in Pd(II)-catalyzed C H direct functionalization of C2-substituted naphthalenes has been a long-term issue in synthetic organic chemistry due to its existence of competitive reaction sites, including C1-, C3- and even C4-sites.… read more here.
Keywords: naphthyl ureas; dearomatization naphthyl; site; reaction ... See more keywords