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Record W2952229476 · doi:10.1021/jo026595t

Conjugate Additions of <i>o</i>-Iodoanilines and Methyl Anthranilates to Acetylenic Sulfones. A New Route to Quinolones Including First Syntheses of Two Alkaloids from the Medicinal Herb <i>Ruta chalepensis</i>

2003· article· en· W2952229476 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 · 2003
Typearticle
Languageen
FieldChemistry
TopicSulfur-Based Synthesis Techniques
Canadian institutionsUniversity of Calgary
Fundersnot available
KeywordsChemistrySulfoneSubstituentConjugateAcylationIntramolecular forceOrganic chemistryMedicinal chemistryCarbonylationAnilineCatalysis

Abstract

fetched live from OpenAlex

A novel synthesis of 2-substituted 4-quinolones was developed on the basis of the conjugate additions of appropriately ortho-substituted anilines to acetylenic sulfones followed by intramolecular acylation of the corresponding sulfone-stabilized anions. Conjugate additions of variously substituted anilines to alkyl-substituted acetylenic sulfones generally proceeded slowly and in poor yield, especially when the aniline contained an electron-withdrawing substituent such as an ester group. In some cases, the reactions were enhanced by the presence of DMAP and the use of an excess of the sulfone in aqueous DMF. N-Formylanilines proved superior to free anilines. The products were either vinyl or allyl sulfones, depending on the conditions and the structure of the reactants. The acetylenic sulfone exists in equilibrium with its allenic and propargylic isomers under base-catalyzed conditions. Therefore, any of the three unsaturated sulfones can serve as the starting material for the conjugate additions. o-Iodoanilines proved superior to methyl anthranilate derivatives and underwent conjugate additions smoothly. The products were subjected to palladium-catalyzed carbonylation in methanol, and the resulting methyl esters were cyclized by treatment with strong bases such as LiHMDS or LiTMP, followed by reductive desulfonylation with aluminum amalgam. The resulting 2-substituted 4-quinolones included the naturally occurring medicinal compounds 1 and 2 and the O-methyl derivative 3.

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)0.004
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
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 score0.006
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.004
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 science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0020.000

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 head0.029
GPT teacher head0.270
Teacher spread0.240 · 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