ArticleChemistryOpen2018
Factors Controlling the Diels-Alder Reactivity of Hetero-1,3-Butadienes.
Article in ChemistryOpen, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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12 citing papers in PubMed, 31 citations in OpenAlex.
- PyOrbb-Automated Analyses of Orbital-Interaction Mechanisms.Journal of computational chemistry · 2026Article
- Computational Organic Chemistry: The Frontier for Understanding and Designing Bioorthogonal Cycloadditions.Topics in current chemistry (Cham) · 2024Review
- Substituent Effects in Bioorthogonal Diels-Alder Reactions of 1,2,4,5-Tetrazines.Chemistry (Weinheim an der Bergstrasse, Germany) · 2023Article
- Switch From Pauli-Lowering to LUMO-Lowering Catalysis in Brønsted Acid-Catalyzed Aza-Diels-Alder Reactions.ChemistryOpen · 2021Article
- How Oriented External Electric Fields Modulate Reactivity.Chemistry (Weinheim an der Bergstrasse, Germany) · 2021Article
- Understanding the 1,3-Dipolar Cycloadditions of Allenes.Chemistry (Weinheim an der Bergstrasse, Germany) · 2020Article
- How Lewis Acids Catalyze Diels-Alder Reactions.Angewandte Chemie (International ed. in English) · 2020Article
- How Alkali Cations Catalyze Aromatic Diels-Alder Reactions.Chemistry, an Asian journal · 2020Article
- Dual Activation of Aromatic Diels-Alder Reactions.Chemistry (Weinheim an der Bergstrasse, Germany) · 2019Article
- How Dihalogens Catalyze Michael Addition Reactions.Angewandte Chemie (International ed. in English) · 2019Article
- Structural Distortion of Cycloalkynes Influences Cycloaddition Rates both by Strain and Interaction Energies.Chemistry (Weinheim an der Bergstrasse, Germany) · 2019Article
- Factors Controlling the Diels-Alder Reactivity of Hetero-1,3-Butadienes.ChemistryOpen · 2018Article
Corrections and comments
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Authors and funding
5 authors at 4 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We have quantum chemically explored the Diels-Alder reactivities of a systematic series of hetero-1,3-butadienes with ethylene by using density functional theory at the BP86/TZ2P level. Activation strain analyses provided physical insight into the factors controlling the relative cycloaddition reactivity of aza- and oxa-1,3-butadienes. We find that dienes with a terminal heteroatom, such as 2-propen-1-imine (
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