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Record W4399126496 · doi:10.26434/chemrxiv-2024-52z7b

Palladium-Catalyzed Tsuji-Trost-Type Vinyl Epoxide Cross-Coupling with Umpolung Hydrazones

2024· preprint· en· W4399126496 on OpenAlexaff
E. C. Chen, Chao‐Jun Li

Bibliographic record

VenueChemRxiv · 2024
Typepreprint
Languageen
FieldChemistry
TopicCatalytic Cross-Coupling Reactions
Canadian institutionsMcGill University
Fundersnot available
KeywordsUmpolungPalladiumEpoxideCatalysisCoupling (piping)ChemistryOrganic chemistryMaterials science

Abstract

fetched live from OpenAlex

Recognized as versatile building blocks, vinyl epoxides have been used as electrophiles to generate compounds of high synthetic value. However, selective functionalization of vinyl epoxides via carbon-carbon (C–C) bond formation has been a major challenge for many years due to its unique chemical reactivity. Current methodologies involve transition metal-activated vinyl epoxides with both stabilized and non-stabilized carbon nucleophiles. Procedures involving stabilized carbanions have limited applicability due to the use of pre-functionalized cyano-, sulphonyl or carbonyl derivatives. Non-stabilized carbanions in the form of organometallic reagents have shown to be robust and versatile reagents in C–C bond formation; however, they are employed in superstoichiometric quantities, require the protection of active functional groups, and generate copious amounts of metallic waste. Therefore, the development of alternative mild carbanion sources is highly desired. In this work, we report a highly chemo- and regioselective palladium-catalyzed vinyl epoxide cross-coupling utilizing hydrazones as organometallic equivalents (HOME). Hydrazones, generated from carbonyl-containing renewable feedstocks, enable a more sustainable reaction, and provide an alternative to highly reactive and sensitive unstabilized organometallic reagents. A broad substrate scope, with high functional group tolerance, is demonstrated along with the late-stage functionalization of natural product derivatives.

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 distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Scholarly communication, Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Research integrity, Insufficient payload (model declined to judge)
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 score0.007
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0000.001
Science and technology studies0.0000.001
Scholarly communication0.0020.000
Open science0.0010.002
Research integrity0.0010.003
Insufficient payload (model declined to judge)0.0010.001

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 head0.018
GPT teacher head0.293
Teacher spread0.275 · 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; both teacher heads agree on what is shown here.

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

Citations1
Published2024
Admission routes1
Has abstractyes

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