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Record W2213143228 · doi:10.1139/v2012-076

Three different mechanisms for azo-ether hydrolyses in aqueous acid

2012· article· en· W2213143228 on OpenAlexafffundvenue
Robin A. Cox, Erwin Buncel

Bibliographic record

VenueCanadian Journal of Chemistry · 2012
Typearticle
Languageen
FieldChemistry
TopicFree Radicals and Antioxidants
Canadian institutionsQueen's UniversityThe Scarborough Hospital
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryProtonationHydrolysisCarbocationAlkoxy groupConjugate acidAqueous solutionEtherSolvolysisDelocalized electronReaction mechanismPhotochemistrySubstrate (aquarium)Medicinal chemistryOrganic chemistryAlkylIonCatalysis

Abstract

fetched live from OpenAlex

It has been shown recently that most ethers hydrolyze in aqueous acid media not by the traditional A1 or A2 process, but by a mechanism involving rate-determining proton transfer to the substrate, concerted with C–O bond cleavage. The reactions of azoethers are more complicated, because the azo group can be protonated in the acid reaction medium as well. This protonation has to be accounted for in the kinetic analysis. Often it simply ties up the substrate in an unreactive form; the hydrolysis reaction slows down as a result of the azo-protonated compound not being the reactant in the hydrolysis. However, there are other possibilities. If the ether group is suitably located in the substrate the azo-protonated compound can react with three water molecules (a “water wire”) in a fast reaction, and the alkoxy group is lost as a result. Depending on the acidity, in this mechanism either the initial three-water attack, or the breakup of the resulting intermediate, can be rate-determining, and both of these were observed. A third possibility is that ring protonation of suitable substrates can occur, giving delocalized carbocations that can form a hydrolysis product in subsequent fast reactions. Thus, three different hydrolysis mechanisms for azoethers in acidic media can be observed. Six azoethers were studied, one of which contained two methoxy groups. Both of these hydrolyzed, but by different mechanisms.

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)0.001
metaresearch head score (Gemma)0.001
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 score0.003
Threshold uncertainty score0.008

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.000
Science and technology studies0.0000.001
Scholarly communication0.0010.002
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0030.001

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 head0.017
GPT teacher head0.223
Teacher spread0.206 · 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

Citations7
Published2012
Admission routes3
Has abstractyes

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