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Record W2320224116 · doi:10.1021/om3006068

Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes

2012· article· en· W2320224116 on OpenAlexaff
J. Sreedhar Reddy, Bao‐Hua Xu, Tayseer Mahdi, Roland Fröhlich, Gerald Kehr, Douglas W. Stephan, Gerhard Erker

Bibliographic record

VenueOrganometallics · 2012
Typearticle
Languageen
FieldChemistry
TopicOrganoboron and organosilicon chemistry
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsChemistryFrustrated Lewis pairYield (engineering)Lewis acids and basesCatalysisDouble bondMedicinal chemistryMetalStereochemistryOrganic chemistryPhysics

Abstract

fetched live from OpenAlex

A series of alkenylboranes were prepared by 1,1-carboboration routes and used as Lewis acid components for the generation of frustrated Lewis pairs (FLPs). The reactions of 1-alkynes with B(C 6 F 5 ) 3 gave the RCH═C(C 6 F 5 )B(C 6 F 5 ) 2 systems 4a (R = n -C 3 H 7 ), 4b (R = n -C 4 H 9 ), 4c (R = Ph), and 4d (R = t -C 4 H 9 ), respectively. The alkenylborane/ t Bu 3 P FLPs derived from compounds 4a – d reacted rapidly with dihydrogen (2.5 bar) at ambient temperature. The bulky system 4d left the C═C double bond of the alkenylborane unsaturated and gave the dihydrogen cleavage product [ t Bu 3 PH][ t BuCH═C(C 6 F 5 )BH(C 6 F 5 ) 2 ] ( 10d ). In contrast, the less bulky systems 4a / t Bu 3 P and 4b / t Bu 3 P split dihydrogen under these conditions and had their C═C double bonds cleanly reduced to yield the corresponding 1-pentafluorophenylalkyl hydridoborate salts [ t Bu 3 PH][RCH 2 CH(C 6 F 5 )BH(C 6 F 5 ) 2 ] 9a (R = n -C 3 H 7 ) and 9b (R = n -C 4 H 9 ), respectively. The 4c / t Bu 3 P FLP gave a mixture of both product types ( 9c / 10c ). 1,1-Carboboration of symmetrical internal alkynes gave the alkenylboranes R 2 C═C(C 6 F 5 )B(C 6 F 5 ) 2 4e (R = C 2 H 5 ), 4f (R = n -C 3 H 7 ), 4g (R = Ph), and 4h (R = p -MeC 6 H 4 ), respectively. The 4e – h / t Bu 3 P FLPs cleaved dihydrogen under mild conditions but retained their C═C double bonds to give the respective [ t Bu 3 PH][R 2 C═C(C 6 F 5 )BH(C 6 F 5 ) 2 ] products ( 10e – h ). Selected examples of these alkenylboranes undergo FLP reactions acting as catalysts for the hydrogenation of imines. Perhaps most remarkably, some of these alkenylboranes retain the C═C double bonds under FLP/H 2 reaction conditions and heterolytically split dihydrogen in the presence of the Lewis base DABCO and catalyze the hydrogenation of the electron-poor C═C double bonds of diaryl-substituted enones.

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)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Insufficient 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 score0.011
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0040.000

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 head0.016
GPT teacher head0.235
Teacher spread0.219 · 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

Citations103
Published2012
Admission routes1
Has abstractyes

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