Rhenium carbonyl compounds with (diphenyl)phosphinoalkynes and a sterically hindered phosphinoalkyne

Ledesma, Cristian; Álvarez‐Larena, Ángel; Suades, Joan

doi:10.1016/j.jorganchem.2008.05.026

Cited by 2 publications

(1 citation statement)

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“…We chose to synthesize a representative MAP (MachinePhos A, L1) that was readily accessed from commercially available materials and was adjustable for future design variations, such as arylsubstituted alkynes for electronic effect tuning and modifiable ortho-substituents on the aryl groups linked to phosphorus, aligning with Buchwald's methodologies. Unsurprisingly, we found that this structurally simple phosphine had a literature precedent (41); however, its potential in catalysis had been overlooked. A recent study has explored pincer tridentate ligands with N,P,Ncoordination, incorporating an alkynyl group on phosphorous (42).…”

Section: General Reaction Conditions Applicable To Heterocyclesmentioning

confidence: 94%

Enhanced Ligand Discovery through Generative AI and Latent-Space Exploration: Application to the Mizoroki-Heck Reaction

Lu,

Li,

Menzel

et al. 2024

Preprint

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The identification of catalysts that promote chemical reactions is a critical challenge in the production of pharmaceuticals. One of the main bottlenecks in this process is the synthesis of vast libraries of precatalysts, although assessing catalyst effectiveness can be rapidly conducted through high-throughput experimentation. The rational design and development of high-performing precatalysts can circumvent this challenge and lead to important advances. In this study, we apply the transformer-based Kernel-Elastic Autoencoder (KAE) equipped with a conditioned latent space, enabling the targeted generation of ligands with desired steric and electronic properties. Our KAE model has facilitated the identification of a monodentate alkynylphosphine, dubbed MachinePhos A, as an effective precatalyst for forming carbon-carbon bond. Its utility was demonstrated experimentally in the Mizoroki-Heck reaction, using a variety of nitrogen-rich arenes pertinent to pharmaceutical applications.

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Section: General Reaction Conditions Applicable To Heterocyclesmentioning

confidence: 94%