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Record W2126455297 · doi:10.1002/chem.201100203

Synthesis and Reactivity of Alkynyl‐Linked Phosphonium Borates

2011· article· en· W2126455297 on OpenAlexaff
Xiaoxi Zhao, Alan J. Lough, Douglas W. Stephan

Bibliographic record

VenueChemistry - A European Journal · 2011
Typearticle
Languageen
FieldChemistry
TopicOrganoboron and organosilicon chemistry
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsChemistryAdductMedicinal chemistryStereochemistryPhosphineReactivity (psychology)HydrideBoranePhosphoniumMetalCatalysisOrganic chemistry

Abstract

fetched live from OpenAlex

The phosphine tBu(2 PC[triple bond]CH (1) was reacted with B(C(6)F(5)) to give the zwitterionic species tBu(2)P(H)C[triple bond]CB(C(6)F(5))(3) (2). The analogous species tBu(2)P(Me)C[triple bond]CB(C(6)F(5))(3) (3), tBu(2)P(H)C[triple bond]CB(Cl)(C(6)F(5))(2) (4), tBu(2)P(H)C[triple bond]CB(H)(C(6)F(5))(2) (5), and tBu(2)P(Me)C[triple bond]CB(H)(C(6)F(5))(2) (6) were also prepared. The salt [tBu(2)P(H)C[triple bond]CB(C(6)F(5))(2)(THF)][B(C(6)F(5))(4)] (7) was prepared through abstraction of hydride by [Ph(3)C][B(C(6)F(5))(4)]. Species 5 reacted with the imine tBuN=CHPh to give the borane-amine adduct tBu(2)PC[triple bond]CB[tBuN(H)CH(2)Ph](C(6)F(5))(2) (8). The related phosphine Mes(2)PC[triple bond]CH (9; Mes=C(6)H(2)Me(3)) was used to prepare [tBu(3)PH][Mes(2)PC[triple bond]CB(C(6)F(5))(3)] (10) and generate Mes(2)PC[triple bond]CB(C(6)F(5))(2). The adduct Mes(2)PC[triple bond]CB(NCMe)(C(6)F(5))(2) (11) was isolated. Reaction of Mes(2)PC[triple bond]CB(C(6)F(5))(2) with H(2) gave the zwitterionic product (C(6)F(5))(2)(H)BC(H)=C[P(H)Mes(2)][(C(6)F(5))(2)BC[triple bond]CP(H)Mes(2)] (12). Reaction of tBu(2)PC[triple bond]CB(C(6)F(5))(2), a phosphine-borane generated in situ from 5, with 1-hexene gave the species [tBu(2)PC[triple bond]CB(C(6)F(5))(2)](CH(2)CHnBu)[tBu(2)PC[triple bond]CB(C(6)F(5))(2)] (13) and subsequent reaction with methanol or hexene resulted in the formation of [tBu(2)P(H)C[triple bond]CB(C(6)F(5))(2)](CH(2)CHnBu)[tBu(2)PC[triple bond]CB(C(6)F(5))(2)](OMe) (14) or the macrocycle {[tBu(2)PC[triple bond]CB(C(6)F(5))(2)](CH(2)CH(2)nBu)}(2) (15), respectively. In a related fashion, the reaction of 13 with THF afforded the macrocycle [tBu(2)PC[triple bond]CB(C(6)F(5))(2)](CH(2)CHnBu)[tBu(2)PC[triple bond]CB(C(6)F(5))(2)][O(CH(2))(4)] (16), although treatment of tBu(2)PC[triple bond]CB(C(6)F(5))(2) with THF lead to the formation of {[tBu(2)[triple bond]CB(C(6)F(5))(2)][O(CH(2))(4)]}(2) (17). In a related example, the reaction of Mes(2)PC[triple bond]CB(C(6)F(5))(2) with PhC[triple bond]CH gave {[Mes(2)PC[triple bond]CB(C(6)F(5))(2)](CH[triple bond]CPh)}(2) (18). Compound 5 reacted with AlX(3) (X=Cl, Br) to give addition to the alkynyl unit, affording (C(6)F(5))(2)BC(H)=C[P(H)tBu(2)](AlX(3)) (X=Cl 19, Br 20). In a similar fashion, 5 reacted with [Zn(C(6)F(5))(2)]⋅C(7)H(8), [Al(C(6)F(5))(3)]⋅C(7)H(8), or HB(C(6)F(5))(2) to give (C(6)F(5))(3)BC(H)=C[P(H)tBu(2)][Zn(C(6)F(5))] (21), (C(6)F(5))(3)BC(H)=C[P(H)tBu(2)][Al(C(6)F(5))(2)] (22), or [(C(6)F(5))(2)B](2)HC=CH[P(H)tBu(2)] (23), respectively. The implications of this reactivity are discussed.

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 score0.007

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)0.0020.000

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 head0.020
GPT teacher head0.202
Teacher spread0.182 · 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

Citations44
Published2011
Admission routes1
Has abstractyes

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Same venueChemistry - A European JournalSame topicOrganoboron and organosilicon chemistryFrench-language works237,207