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Record W2104547650 · doi:10.1186/s40508-015-0043-4

Halodehydroxylation of alcohols to yield benzylic and alkyl halides in ionic liquids

2015· article· en· W2104547650 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.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueSustainable Chemical Processes · 2015
Typearticle
Languageen
FieldChemical Engineering
TopicIonic liquids properties and applications
Canadian institutionsMemorial University of Newfoundland
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryHalideAlkylIonic liquidSN2 reactionMoietyReagentYield (engineering)Organic chemistryLeaving groupAlcoholNucleophilic substitutionNucleophileReactivity (psychology)Medicinal chemistryCatalysisMaterials science

Abstract

fetched live from OpenAlex

Alcohols are widely used, and sometimes renewable, reagents but the hydroxyl moiety is a relatively poor leaving group under mild conditions. Direct nucleophilic substitution of alcohols is a desirable reaction for synthetic and process chemists. Synthesis of twelve alkyl and benzyl halides was achieved in [Bmim]PF6 (Bmim = 1-butyl-3-methylimidazolium) from their parent alcohols using ammonium halides as the halogenating agents. Trends in reactivity based on the alcohol and halide were discovered. Mechanistic evidence suggests that the reaction proceeds via SN2 substitution of the hydroxyl group, which is activated via hydrogen-bonding with the acidic proton of the imidazolium cation. Also, for benzyl substrates, equilibria involving formation of dibenzyl ether complicate the reactions and reduce optimum yields. Ammonium halides are useful, solid and relatively safe reagents for the conversion of some primary alcohols to organohalides in ionic liquids (yields up to 81 %). Indanol under the same conditions yields biindenylidene (GC yield 63 %).

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)0.002
Version: codex-gemma-dda1882f352aValidation 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 score0.074
Threshold uncertainty score0.549

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.002
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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 head0.028
GPT teacher head0.256
Teacher spread0.229 · 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