Data-Driven Multi-Objective Optimization Tactics for Catalytic Asymmetric Reactions Using Bisphosphine Ligands

Autor: Jordan J. Dotson, Lucy van Dijk, Jacob C. Timmerman, Samantha Grosslight, Richard C. Walroth, Francis Gosselin, Kurt Püntener, Kyle A. Mack, Matthew S. Sigman

Publikováno v: J Am Chem Soc

Optimization of the catalyst structure to simultaneously improve multiple reaction objectives (e.g., yield, enantioselectivity, and regioselectivity) remains a formidable challenge. Herein, we describe a machine learning workflow for the multi-object

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aba19c1b112cc3784058ceea2fe67150
https://doi.org/10.1021/jacs.2c08513

Data-driven multi-objective optimization tactics for catalytic asymmetric reactions

Autor: Jordan Dotson, Lucy van Dijk, Jacob Timmerman, Samantha Grosslight, Richard Walroth, Kurt Püntener, Francis Gosselin, Kyle Mack, Matthew Sigman

Optimization of catalyst structure to simultaneously improve multiple reaction objectives (e.g., yield, enantio-, and regioselectivity) remains a formidable challenge. Herein, we describe a machine learning workflow for the multi-objective optimizati

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::96e33cbc97b290f6660118f1289b4ee5
https://doi.org/10.26434/chemrxiv-2022-qqxd1

Mechanistic investigation of Rh(i)-catalysedasymmetric Suzuki–Miyaura coupling withracemic allyl halides

Autor: Özlem Sari, Robert S. Paton, Mireia Sidera, Lucy van Dijk, Stephen P. Fletcher, Timothy D. W. Claridge, Sedef Karabiyikoglu, Ruchuta Ardkhean, Guy C. Lloyd-Jones

Publikováno v: van Dijk, L, Ardkhean, R, Sidera, M, Karabiyikoglu, S, Sari, Ö, Claridge, T D W, Lloyd-Jones, G C, Paton, R S & Fletcher, S P 2021, ' Mechanistic investigation of Rh(i)-catalysed asymmetric Suzuki–Miyaura coupling with racemic allyl halides ', Nature Catalysis, vol. 2021, no. 4, pp. 284–292 . https://doi.org/10.1038/s41929-021-00589-y

Understanding how catalytic asymmetric reactions with racemic starting materials can operate would enable new enantioselective cross-coupling reactions that give chiral products. Here we propose a catalytic cycle for the highly enantioselective Rh(i)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::75054b70b051714ec231d41c0887121a
https://ora.ox.ac.uk/objects/uuid:a53f14d0-3a1f-437e-9ce7-624a6430a3ab

A catalytic asymmetric cross-coupling approach to the synthesis of cyclobutanes

Autor: F Wieland, Goetzke, Alexander M L, Hell, Lucy, van Dijk, Stephen P, Fletcher

Publikováno v: Nature chemistry. 13(9)

Stereodefined four-membered rings are common motifs in bioactive molecules and versatile intermediates in organic synthesis. However, the synthesis of complex, chiral cyclobutanes is a largely unsolved problem and there is a need for general and modu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::7524adf426d8da8579f11d8f97093fcf
https://pubmed.ncbi.nlm.nih.gov/34211118

Mechanistic Investigation of Rh(I)-Catalyzed Asymmetric Suzuki-Miyaura Coupling with Racemic Allyl Halides

Autor: Mireia Sidera, Ruchuta Ardkhean, Özlem Sari, Robert S. Paton, Stephen P. Fletcher, Timothy D. W. Claridge, Lucy van Dijk, Sedef Karabiyikoglu

A mechanism for Rh(I)-catalyzed asymmetric Suzuki-Miyaura coupling with racemic allyl halides is proposed based on a combination of experimental studies and quantum chemical calculations.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::39416d4a3cae857d6006716c0abf3301
https://doi.org/10.26434/chemrxiv.8208617