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Record W4220877504 · doi:10.1139/cjc-2022-0032

Hypervalent iodine-mediated oxidative alkene arylation: a thorough analysis

2022· article· en· W4220877504 on OpenAlexaffvenue
Liam H. Britt, Zhen‐Sheng Zhao, Graham K. Murphy

Bibliographic record

VenueCanadian Journal of Chemistry · 2022
Typearticle
Languageen
FieldChemistry
TopicOxidative Organic Chemistry Reactions
Canadian institutionsUniversity of Waterloo
Fundersnot available
KeywordsHypervalent moleculeChemistryAlkeneReagentTolueneIodineMedicinal chemistryStoichiometryCatalysisAlkylReaction mechanismOrganic chemistry

Abstract

fetched live from OpenAlex

A hypervalent iodine (HVI)-mediated, oxidative alkene arylation reaction has been developed. Both Koser’s reagent (PhI(OH)OTs) and (diacetoxyiodo)toluene (TolI(OAc) 2 ) were equally viable as oxidants, which reacted with ortho-vinylbiphenyl derivatives to produce tri-, tetra-, and pentacyclic polycyclic aromatic hydrocarbons in yields up to 97%. Comparison of this stoichiometric reaction with a previously reported catalytic process showed that these protocols were largely complementary, and that they likely operate via the same general mechanistic sequence involving vinyliodonium salts decomposing into vinylene phenonium ions. Various mechanistic control experiments were conducted, which ruled out epoxides as intermediates, and which showed that E- and Z-alkene geometry in 10-substituted ortho-vinylbiphenyls had no impact on the ensuing isomeric product distributions. These experiments strongly supported the formation of E-vinyliodonium ions as initial reaction intermediates, and while the occurrence of 1,2-phenyl shift products was a common phenomenon, we concluded that alkyl substitution on the ortho-vinylbiphenyl was a requirement for this alternate pathway to occur.

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)0.000
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 score0.125
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0570.000

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 head0.013
GPT teacher head0.217
Teacher spread0.204 · 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

Citations1
Published2022
Admission routes2
Has abstractyes

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