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Record W6910672042 · doi:10.48336/01jd-pj78

Metal‐catalyzed carbenoid cascade reactions involving a C–H insertion/annulation — applications in the synthesis of carbo- and heterocycles

2023· article· en· W6910672042 on OpenAlexaff

Bibliographic record

VenueMemorial University Research Repository (Memorial University) · 2023
Typearticle
Languageen
FieldChemistry
TopicCyclopropane Reaction Mechanisms
Canadian institutionsMemorial University of Newfoundland
Fundersnot available
KeywordsAnnulationCarbeneElectrophileCarbenoidDiazoCascade reactionPericyclic reactionIndole testKnoevenagel condensationAtom economy

Abstract

fetched live from OpenAlex

Cascade reactions have gained significant importance in the pursuit of efficient and elegant synthetic chemistry. These processes offer environmental friendliness, atom economy and enable the synthesis of highly complex molecules. This thesis covers the general topic of tandem reactions based on metallocarbene insertion into C–H bonds and subsequent trapping of carbanion intermediate via annulation chemistry in a cascade manner to access various hetero- and carbocyclic frameworks. Three related projects illustrate this strategy; the last project is based on the pericyclic cascade strategy. In Chapter 2 of this thesis, a Rh(II)-catalyzed acceptor/acceptor diazo carbene insertion/annulation strategy will be discussed. A series of N-alkylated indoles contain an alkyne electrophile were prepared for this study. These indoles were reacted with diazo reagents under Rh(II) catalysis to achieve tandem C(sp²)–H carbene insertion and subsequent Conia-ene annulation for the synthesis of pyrroloindoles. Chapter 3 of this thesis discusses a Cu(II)-catalyzed C(sp²)–H insertion/Michael annulation cascade between α-diazocarbonyls and appropriately functionalized indoles containing alkynyl-ester electrophiles to access a variety of fused indole scaffolds in a stereoselective manner. Advancements of this reaction manifold to include alkenyl-esters as electrophiles were also explored allowing access to a range of new indole frameworks. By extending the reaction protocol to donor/acceptor diazocarbonyls, an additional synthetic value was achieved. Chapter 4 of this thesis presents a preliminary study on the Rh(III)-catalyzed pyrimidine-directed C–H activation of indole, followed by coupling with Meldrum's acid-derived α-diazocarbonyls through a migratory carbene insertion pathway. The resulting intermediate, upon the elimination of acetone and carbon dioxide, undergoes a Dieckmann condensation with a pendant ester moiety, leading to the formation of a carbazole core. The progress made in this study, as well as the planned future work, regarding the application of this novel reaction in the synthesis of various carbazole-based natural products, will be discussed in detail. Finally, Chapter 5 of this thesis discusses a pericyclic cascade towards the synthesis of citridone A and tersone D natural products. The key transformation involves a domino Knoevenagel condensation between branched conjugated dienals and pyridone-type 1,3-dicarbonyl substrates followed by an oxa-6π electrocyclic ring-closure cascade to construct a cyclopenta[b]furopyridone framework. This project was completed in collaboration with the Rivera Group of Rosario Institute of Chemistry-IQUIR and for simplicity, only our total synthesis efforts will be discussed.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.007

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.001

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.031
GPT teacher head0.258
Teacher spread0.227 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations0
Published2023
Admission routes1
Has abstractyes

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