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Record W2910113287 · doi:10.1039/c8dt04818e

Electrophilic boron carboxylate and phosphinate complexes

2019· article· en· W2910113287 on OpenAlexafffund
Diya Zhu, James H. W. LaFortune, Rebecca L. Melen, Douglas W. Stephan

Bibliographic record

VenueDalton Transactions · 2019
Typearticle
Languageen
FieldChemistry
TopicOrganoboron and organosilicon chemistry
Canadian institutionsUniversity of Toronto
FundersEngineering and Physical Sciences Research CouncilTechnische Universität BerlinNatural Sciences and Engineering Research Council of CanadaCanada Research Chairs
KeywordsPhosphinateCarboxylateElectrophileChemistryBoronCarboxylic acidAldehydeMedicinal chemistryRing (chemistry)StereochemistryCrystallographyPolymer chemistryOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

The reactions of a series of carboxylic acids with H2B(C6F5)·SMe2 are shown to afford species of the form [RC(O)OB(C6F5)]2O, (R = Tol 1, Ph 2, C6F53, Me2BrC 4, Me 5) in 87-95% yields with the concurrent reduction of the carboxylic acid to the corresponding aldehyde. A mechanism for the formation of 1-5 is proposed to proceed via a cyclic eight-membered ring species. Analogues of these species were prepared via reactions of carboxylic and phosphinic acids with HB(C6F5)2 and H2B(C6F5)·SMe2, respectively, to give [TolC(O)OB(C6F5)2]26, [(C6F5)C(O)OB(C6F5)2]27, and [Ph2P(O)OBH(C6F5)]28. These products react subsequently to give TolC(O)OBH(C6F5)(NC5H4NMe2) 9 and Ph2P(O)OBH(C6F5)(NC5H4NMe2) 10. The acyloxyborate derivatives 1-4 were shown to be inactive in mediating the direct amidation of carboxylic acids, consistent with previous observations that infer the need for a sterically congested environment about the boron centres.

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 score0.003
Threshold uncertainty score0.011

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 science0.0010.000
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 head0.006
GPT teacher head0.211
Teacher spread0.205 · 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
Published2019
Admission routes2
Has abstractyes

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Same venueDalton TransactionsSame topicOrganoboron and organosilicon chemistryFrench-language works237,207