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Record W1861265400 · doi:10.1002/ejic.201500424

Extremely Facile Transformations of Tris(3,5‐dimethylpyrazolyl)borate: a Bidentate Nitrogen Ligand and a <i>C</i><sub>2</sub>‐Chiral Cation

2015· article· en· W1861265400 on OpenAlexafffund
Marzieh Daryanavard, David R. Armstrong, Alan J. Lough, Ulrich Fekl

Bibliographic record

VenueEuropean Journal of Inorganic Chemistry · 2015
Typearticle
Languageen
FieldChemistry
TopicOrganoboron and organosilicon chemistry
Canadian institutionsUniversity of Toronto
FundersUniversity of Toronto Mississauga
KeywordsChemistryBoraneDenticityAdductLewis acids and basesLigand (biochemistry)AcetoneMedicinal chemistryHydrideBifunctionalBoranesBoronStereochemistryCrystallographyCrystal structureOrganic chemistryMetalCatalysis

Abstract

fetched live from OpenAlex

Abstract Two novel transformations are reported for the well‐known hydridotris(3,5‐dimethylpyrazolyl)borate (Tp*–). The uncommon Lewis base abstractor aryldiazonium cation (ArN2+; Ar = p‐Br‐C6H4, p‐MeO‐C6H4) if used in equimolar amounts, removes a hydride from Tp*– in acetone to produce the formal acetone adduct of tris(3,5‐dimethylpyrazolyl)borane (pz*3B·C3H6O, compound 1). Frustrated Lewis pair (FLP) like behavior is thus found for a tris(pyrazolyl)borane. If 2 equiv. of ArN2+ are used, 3,5‐dimethylpyrazolate is now being abstracted from 1, and the resulting intermediate bifunctional borane adds another equivalent of acetone to form cation 2+ {[pz*2B·(C3H6O)2]+, obtained as 2‐BF4}, a boronium cation that is the formal addition product of 2 equiv. of acetone to the bis(3,5‐dimethylpyrazolyl)borinium cation. Compounds 1 and 2+ are characterized by 1H, 13C, and 11B NMR spectroscopy, mass spectrometry, and single‐crystal X‐ray diffraction. Compound 1 is potentially useful as a charge‐neutral bidentate chelate ligand with controlled sterics, and 2+ is a C2‐chiral cation.

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)0.000
metaresearch head score (Gemma)0.000
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 score0.002
Threshold uncertainty score0.005

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
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)0.0020.001

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 head0.015
GPT teacher head0.211
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 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

Citations2
Published2015
Admission routes2
Has abstractyes

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