MétaCan
Menu
Back to cohort
Record W1979459000 · doi:10.1139/v00-202

Epoxide of a ketene acetal. The first 2,2-dialkoxyoxirane to be isolated

2001· article· en· W1979459000 on OpenAlex
Małgorzata Dawid, Paul C. Venneri, John Warkentin

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.

fundA Canadian funder is recorded on the work.
venuePublished in a venue whose home country is Canada.
no affNo Canadian affiliation: this work is invisible to an affiliation-only frame.
No Canadian affiliation. An affiliation-only frame, the usual design, would never have seen this work. It is one of the works that make the case for inverting the frame.

Bibliographic record

VenueCanadian Journal of Chemistry · 2001
Typearticle
Languageen
FieldChemistry
TopicChemical Reactions and Mechanisms
Canadian institutionsnot available
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsYlideChemistryKeteneCyclohexanoneCarbeneCycloadditionMedicinal chemistryNucleophileAcetalKetonePhotochemistryStereochemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Dimethoxycarbene, generated at 110°C in benzene by thermolysis of 2,2-dimethoxy-5,5-dimethyl-Δ 3 -1,3,4-oxadiazoline, reacted with cyclohexanone to afford 2,2-dimethoxyspiro[2.5]-1-oxaoctane. It is the first oxirane of a ketene acetal that could be isolated and characterized by 1 H NMR-, 13 C NMR-, and IR spectroscopy. The identical oxirane might be expected from conrotatory cyclization of the appropriate carbonyl ylide. That ylide was generated under identical conditions by thermolysis of an oxadiazoline precursor (3,4-diaza-2,2-dimethoxy-1-oxaspiro[4.5]dec-3-ene) (14). The ylide could either cyclize or fragment to dimethoxycarbene and cyclohexanone. Addition of 4-tert-butylcyclohexanone, to trap dimethoxycarbene in competition with the cyclohexanone generated from 14 and, to leave the ylide closure pathway as the only route to the oxirane, showed that the carbonyl ylide does cyclize. However, fragmentation of the carbonyl ylide is relatively fast compared to its cyclization and most of it fragments to dimethoxycarbene and cyclohexanone. Oxirane formation from the carbene and ketone is probably either a concerted cycloaddition or it occurs in two steps, by nucleophilic attack at the carbonyl carbon to form the C—C bond first, prior to ring closure. If the carbene is bonded first to O of the carbonyl group, as it is in the carbonyl ylide, subsequent formation of the C—C bond is too slow, relative to fragmentation of the ylide, to afford the oxirane ring efficiently.Key words: carbonyl ylide, dialkoxyoxirane, dimethoxycarbene, oxadiazoline, oxirane.

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)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient 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 score0.276
Threshold uncertainty score0.998

Codex and Gemma teacher scores by category

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)0.0030.000

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 head0.012
GPT teacher head0.208
Teacher spread0.196 · 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