Efficient and Accurate Description of Diels‐Alder Reactions Using Density Functional Theory
Sign Up to like & getrecommendations! Published in 2022 at "Chemphyschem"
DOI: 10.1002/cphc.202200349
Abstract: Abstract Modeling chemical reactions using Quantum Chemistry is a widely used predictive strategy capable to complement experiments in order to understand the intrinsic mechanisms guiding the chemicals towards the most favorable reaction products. However, at… read more here.
Keywords: reactions using; functional theory; diels alder; alder reactions ... See more keywords
Understanding the Mechanism of Diels–Alder Reactions with Anionic Dienophiles: A Systematic Comparison of [ECX]− (E = P, As; X = O, S, Se) Anions
Sign Up to like & getrecommendations! Published in 2022 at "Inorganic Chemistry"
DOI: 10.1021/acs.inorgchem.2c00549
Abstract: While Diels–Alder (DA) reactions involving neutral or cationic dienophiles are well-known, the characteristics of the analogous reactions with anionic dienophiles are practically unexplored. Herein we present the first comparative computational investigations on the characteristics of… read more here.
Keywords: diels alder; comparison; ecx anions; reactions anionic ... See more keywords
Diels-Alder Reactions in Water are Determined by Microsolvation.
Sign Up to like & getrecommendations! Published in 2019 at "Nano letters"
DOI: 10.1021/acs.nanolett.9b04369
Abstract: Nanoconfined aqueous environments and the recent advent of accelerated chemistry in microdroplets are increasingly being investigated for catalysis. The mechanisms underlying the enhanced reactivity in alternate solvent environments, and whether the enhanced reactivity due to… read more here.
Keywords: diels alder; reactions water; water; microsolvation ... See more keywords
Switching Electrophile Intermediates to Nucleophiles: Michael and Oxa-Diels-Alder Reactions to Afford Polyoxy-Functionalized Piperidine Derivatives with Tetrasubstituted Carbon.
Sign Up to like & getrecommendations! Published in 2020 at "Organic letters"
DOI: 10.1021/acs.orglett.0c00735
Abstract: Michael, Michael-annulation, and oxa-Diels-Alder reactions of carbohydrate derivatives that afford polyoxy-functionalized piperidine derivatives bearing tetrasubstituted carbon at the 3-position of the piperidine ring are reported. Iminium ions generated from carbohydrate derivatives with amines were converted… read more here.
Keywords: diels alder; piperidine; afford polyoxy; oxa diels ... See more keywords
Catalytic and Enantioselective Diels-Alder Reactions of (E)-4-Oxopent-2-enoates.
Sign Up to like & getrecommendations! Published in 2017 at "Organic letters"
DOI: 10.1021/acs.orglett.7b01692
Abstract: Novel oxazaborolidines activated by the strong acid triflimide or AlBr3 form cationic chiral catalysts. These are effective catalysts for highly regio- and enantioselective Diels-Alder reactions using substituted (E)-4-oxopent-2-enoates as dienophiles. read more here.
Keywords: catalytic enantioselective; diels alder; reactions oxopent; oxopent enoates ... See more keywords
Carbocation Lewis Acid Catalyzed Diels-Alder Reactions of Anthracene Derivatives.
Sign Up to like & getrecommendations! Published in 2018 at "Organic letters"
DOI: 10.1021/acs.orglett.8b00619
Abstract: The carbocation salt [Ph3C][BArF] has been identified as a viable Lewis acid catalyst for the Diels-Alder reactions between anthracene derivatives and unsaturated carbonyl compounds with good selectivity and high efficiency. read more here.
Keywords: lewis acid; diels alder; reactions anthracene; anthracene derivatives ... See more keywords
In Situ Visualization of Reversible Diels-Alder Reactions with Self-Reporting Aggregation-Induced Emission Luminogens.
Sign Up to like & getrecommendations! Published in 2022 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.1c20758
Abstract: The dynamic reversible Diels-Alder (DA) reactions play essential roles in both academic and applied fields. Currently, in situ visualization and direct monitoring of the formation and cleavage of covalent bonds in DA reactions are hampered… read more here.
Keywords: visualization; reversible diels; diels alder; situ visualization ... See more keywords
Synthesis and hetero-Diels-Alder reactions of enantiomerically pure dihydro-1H-azepines.
Sign Up to like & getrecommendations! Published in 2020 at "Chemical communications"
DOI: 10.1039/d0cc04413j
Abstract: Thermolysis of enantiomerically pure 3-substituted 7,7-dihalo-2-azabicyclo[4.1.0]heptanes in the presence of K2CO3 gives in good yields 2-alkyl-6-halo-1-tosyl-2,3-dihydro-1H-azepines. These undergo highly stereoselective [4+2] cycloaddition reactions with heterodienophiles and arylation/alkenylation under Suzuki conditions. read more here.
Keywords: diels alder; dihydro azepines; hetero diels; synthesis hetero ... See more keywords
Hetero-Diels–Alder reactions of 2H-phospholes with allenes: synthesis and functionalization of 6-methylene-1-phosphanorbornenes
Sign Up to like & getrecommendations! Published in 2021 at "Organic chemistry frontiers"
DOI: 10.1039/d1qo00535a
Abstract: The phospha-Diels–Alder reaction between 2H-phospholes and arylallenes affords 6-methylene-1-phosphanorbornenes in high yields with excellent regioselectivity. This Diels–Alder reaction proceeds at the internal CC double bond of allenes selectively. DFT calculations of possible transition states finely… read more here.
Keywords: reactions phospholes; diels alder; alder reactions; hetero diels ... See more keywords
Peroxidase-induced C–N bond formation via nitroso ene and Diels–Alder reactions
Sign Up to like & getrecommendations! Published in 2023 at "Green Chemistry"
DOI: 10.1039/d2gc04827b
Abstract: The formation of new carbon–nitrogen bonds is indisputably one of the most important tasks in synthetic organic chemistry. Here, nitroso compounds offer a highly interesting reactivity that complements traditional amination strategies, allowing for the introduction… read more here.
Keywords: chemistry; diels alder; alder reactions; formation ... See more keywords
Generation of novel Diels–Alder reactions using a generative adversarial network
Sign Up to like & getrecommendations! Published in 2022 at "RSC Advances"
DOI: 10.1039/d2ra06022a
Abstract: Deep learning has enormous potential in the chemical and pharmaceutical fields, and generative adversarial networks (GANs) in particular have exhibited remarkable performance in the field of molecular generation as generative models. However, their application in… read more here.
Keywords: diels alder; generation; generative adversarial; alder reactions ... See more keywords