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Record W1976753737 · doi:10.1139/v09-036

Chiral α-substituted allylboronates in a one-pot three-component asymmetric allylic alkylation/carbonyl allylation reaction sequence — Applications to the syntheses of (+)-(3 <i>R</i> ,5 <i>R</i> )-3-hydroxy-5-decanolide and (–)-massoialactone

2009· article· en· W1976753737 on OpenAlexaffvenue
Lisa Carosi, Dennis G. Hall

Bibliographic record

VenueCanadian Journal of Chemistry · 2009
Typearticle
Languageen
FieldChemistry
TopicSynthetic Organic Chemistry Methods
Canadian institutionsUniversity of Alberta
Fundersnot available
KeywordsChemistryAllylic rearrangementReagentAldehydeRegioselectivityEnantioselective synthesisTsuji–Trost reactionAlkylationPhosphoramiditeOrganic chemistryCatalysisSelectivityLewis acids and basesMedicinal chemistryCombinatorial chemistry

Abstract

fetched live from OpenAlex

The use of different organomagnesium reagents in the copper-catalyzed allylic alkylation of 3-chloropropenyl boronates with chiral phosphoramidite ligands produces the desired α-substituted allylic boronate reagents in high regioselectivity and with modest to high enantioselectivities (up to 96% ee). The size of the incoming alkyl substituent from the organomagnesium reagent was found to impact the yield and selectivity of the allylic alkylation. A one-pot procedure for the preparation of these chiral allylic boronates followed by a Lewis acid (BF 3 ) catalyzed addition to aldehydes delivers the desired allylboration products, homoallylic secondary alcohols, in good yields and very high diastereoselectivity. This three-component reaction methodology was applied to the syntheses of two lactone-containing natural products, (–)-massoialactone and (+)-(3R,5R)-3-hydroxy-5-decanolide. The key step of these syntheses involved the one-pot enantioselective copper-catalyzed allylic alkylation/allylboration reaction with a benzylic aldehyde, and afforded the desired product in 87% yield, 92% ee, and high E/Z selectivity in a ratio of 22:1. Remarkably, the allylic alkylation step of this sequential reaction was performed with a low catalyst loading of 2 mol% on a scale of >15 mmol that can provide multiple grams of the three-component product.

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 score0.001
Threshold uncertainty score0.003

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.001
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 head0.029
GPT teacher head0.257
Teacher spread0.228 · 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

Citations23
Published2009
Admission routes2
Has abstractyes

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