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Record W6884442488 · doi:10.1021/ic801657g.s001

Reactions of Tertiary Phosphines with Alcohols in Aqueous Media

2016· article· en· W6884442488 on OpenAlexaff

Bibliographic record

VenueFigshare · 2016
Typearticle
Languageen
FieldChemistry
TopicOrganophosphorus compounds synthesis
Canadian institutionsUniversity of British Columbia
Fundersnot available
KeywordsPhosphoniumReactivity (psychology)SubstituentMoietyCarbocationAqueous solutionAlcohol

Abstract

fetched live from OpenAlex

The phosphines R<sub>2</sub>R′P [R = R′ = Me, Et, <sup><i>n</i></sup>Pr, <sup><i>i</i></sup>Pr, (CH<sub>2</sub>)<sub>3</sub>OH; Me<sub>2</sub>PhP and MePh<sub>2</sub>P] react with 2- or 4-hydroxybenzyl alcohols, including “lignin-type” vanillyl, syringyl, and α-methylvanillyl alcohols, in a 1:1 ratio in aqueous media, to give zwitterionic phosphobetaine products; these on treatment with aq HCl form the corresponding phosphonium chlorides in good to excellent yields. The syringyl derivative [3,5-(OMe)<sub>2</sub>-4-OH-C<sub>6</sub>H<sub>2</sub>CH<sub>2</sub>PEt<sub>3</sub>]Cl was structurally characterized by X-ray analysis. Kinetically, the reactivity of the benzyl alcohols, studied with the water-soluble [HO(CH<sub>2</sub>)<sub>3</sub>]<sub>3</sub>P, decreases with substituents in the order 2-hydroxy > 4-hydroxy > vanillyl > syringyl > α-methylvanillyl, while 3-hydroxybenzyl alcohol is unreactive; the trend is consistent with reactivity requiring the presence of an <i>ortho</i>- or <i>para</i>-OH substituent in the aromatic ring of the alcohol, and that the reactions proceed via a carbocation species stabilized as a quinone methide. Triethylphosphine reacts with coniferyl alcohol at the CC moiety to give a zwitterionic intermediate that is again converted by aq HCl to a phosphonium chloride; no reaction was observed with cinnamyl alcohol. The effect on a phenolic p<i>K</i><sub>a</sub> by incorporation of a phosphonium substituent is also measured.

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)0.001
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 score0.259
Threshold uncertainty score0.838

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.001
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)0.2600.001

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 head0.213
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

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

Citations0
Published2016
Admission routes1
Has abstractyes

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