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Record W2123362497 · doi:10.1139/v03-076

Cyclization of 5-hexenyl radicals from nitroxyl radical additions to 4-pentenylketenes and from the acyloin reaction

2003· article· en· W2123362497 on OpenAlexfundvenueno aff
Huda Henry‐Riyad, Thomas T. Tidwell

Bibliographic record

VenueCanadian Journal of Chemistry · 2003
Typearticle
Languageen
FieldChemistry
TopicOxidative Organic Chemistry Reactions
Canadian institutionsnot available
FundersNatural Sciences and Engineering Research Council of CanadaAmerican Chemical Society Petroleum Research FundKillam Trusts
KeywordsChemistryRadicalNitroxylCyclopentaneMedicinal chemistryDerivative (finance)Radical cyclizationRadical disproportionationToluenePhotochemistryOrganic chemistryDisproportionationCatalysis

Abstract

fetched live from OpenAlex

Photochemical Wolff rearrangements were used to form 5-substituted-4-pentenylketenes 1a–1d (RCH=CHCH 2 XCH 2 CH=C=O: 1a R = H, X = CH 2 ; 1b R = Ph, X = CH 2 ; 1c R = c-Pr, X = CH 2 ; 1d R = H, X = O), which were observed by IR at 2121, 2120, 2119, and 2126 cm –1 , respectively, as relatively long-lived species at room temperature in hydrocarbon solvents. These reacted with the nitroxyl radical tetramethylpiperidinyloxyl (TEMPO, TO·) forming carboxy-substituted 5-hexenyl radicals 3, which were trapped by a second nitroxyl radical forming 1,2 diaddition products 4a–4d. On thermolysis, 4a–4d underwent reversible reformation of the radicals 3, which underwent cyclization forming cyclopentanecarboxylic acid derivatives 6 or 11 as the major products. However, in the case of 1b, the cyclopentane derivative was formed reversibly and on prolonged reaction times the only product isolated was PhCH=CH-(CH 2 ) 4 CO 2 H (8b) from hydrogen transfer to C β and cleavage of the TEMPO group. Cyclopropylcarbinyl radical ring opening in the cyclized radical 5c from 1c led to the 2-(4-N-tetramethylpiperidinyloxybut-1-enyl)cyclopentane derivative 11 as the major product. In a test for 5-hexenyl radical ring closure in the radical anion intermediate of the acyloin condensation, the ester CH 2 =CH(CH 2 ) 3 CO 2 Et (12a) gave the acyloin 13a (76%) as the only observed product, while PhCH=CH(CH 2 ) 3 CO 2 CH 3 (12b) with Na in toluene gave 21% of the acyloin product 13b and 42% of 2-benzylcyclopentanol (15) from cyclization of the intermediate radical anion.Key words: ketenes, free radical cyclization, TEMPO, acyloin condensation.

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)0.002
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 score0.054
Threshold uncertainty score0.996

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.002
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)0.0050.000

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 head0.010
GPT teacher head0.211
Teacher spread0.200 · 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 teacher head, not a consensus.

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

Citations9
Published2003
Admission routes2
Has abstractyes

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