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Record W2118755562 · doi:10.1021/jo0103773

First Examples of Enantioselective Palladium-Catalyzed Thiocarbonylation of Prochiral 1,3-Conjugated Dienes with Thiols and Carbon Monoxide:  Efficient Synthesis of Optically Active β,γ-Unsaturated Thiol Esters

2001· article· en· W2118755562 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueThe Journal of Organic Chemistry · 2001
Typearticle
Languageen
FieldChemistry
TopicSulfur-Based Synthesis Techniques
Canadian institutionsUniversity of Ottawa
Fundersnot available
KeywordsChemistryEnantioselective synthesisCarbon monoxidePhosphineStereoselectivityMethyleneCatalysisMedicinal chemistryConjugated systemAsymmetric carbonThiolPalladiumOptically activeOrganic chemistry

Abstract

fetched live from OpenAlex

A catalyst system based on [Pd(OAc)(2)]/(R,R)-DIOP has been found to effect asymmetric thiocarbonylation of certain prochiral 1,3-dienes to produce good yields of optically enriched beta,gamma-unsaturated thiol esters. The reaction was performed under an atmosphere of carbon monoxide (400 psi) at 110 degrees C in methylene chloride for 60 h. The asymmetric thiocarbonylation proceeded with good to excellent enantioselectivities (up to 89% ee). The stereoselectivity is strongly influenced by the structure of the chiral phosphine ligands and substrates, as well as by the reaction conditions. The enantiodetermination step is assumed to be CO insertion to a pi-allylpalladium intermediate.

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.

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)0.001
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation 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 score0.003
Threshold uncertainty score0.788

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
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)0.0000.000

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 head0.008
GPT teacher head0.205
Teacher spread0.197 · 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