Modular synthesis of aryl amines from 3-alkynyl-2-pyrones

Gardner, Kristen E.; de Lescure, Louis; Hardy, Melissa A.; Tan, Jin; Sigman, Matthew S.; Paton, Robert S.; Sarpong, Richmond

doi:10.1039/d4sc04885g

Chem. Sci.

2024

DOI: 10.1039/d4sc04885g

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Modular synthesis of aryl amines from 3-alkynyl-2-pyrones

Kristen E. Gardner,

Louis de Lescure,

Melissa A. Hardy

et al.

Abstract: The synthesis of aryl amines from 3-alkynyl-2-pyrones and various amines is described.

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2025

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Applying statistical modeling strategies to sparse datasets in synthetic chemistry

Haas,

Kalyani,

Sigman

2025

Sci. Adv.

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The application of statistical modeling in organic chemistry is emerging as a standard practice for probing structure-activity relationships and as a predictive tool for many optimization objectives. This review is aimed as a tutorial for those entering the area of statistical modeling in chemistry. We provide case studies to highlight the considerations and approaches that can be used to successfully analyze datasets in low data regimes, a common situation encountered given the experimental demands of organic chemistry. Statistical modeling hinges on the data (what is being modeled), descriptors (how data are represented), and algorithms (how data are modeled). Herein, we focus on how various reaction outputs (e.g., yield, rate, selectivity, solubility, stability, and turnover number) and data structures (e.g., binned, heavily skewed, and distributed) influence the choice of algorithm used for constructing predictive and chemically insightful statistical models.

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Applying statistical modeling strategies to sparse datasets in synthetic chemistry

Haas,

Kalyani,

Sigman

2025

Sci. Adv.

View full text Add to dashboard Cite

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

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Modular synthesis of aryl amines from 3-alkynyl-2-pyrones

Abstract: The synthesis of aryl amines from 3-alkynyl-2-pyrones and various amines is described.

Cited by 1 publication

References 30 publications

Applying statistical modeling strategies to sparse datasets in synthetic chemistry

Applying statistical modeling strategies to sparse datasets in synthetic chemistry

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