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Record W2021618258 · doi:10.1021/om011086n

Solution and Solid-State Characteristics of Imine Adducts with Tris(pentafluorophenyl)borane

2002· article· en· W2021618258 on OpenAlexaff
James M. Blackwell, Warren E. Piers, Masood Parvez, Robert McDonald

Bibliographic record

VenueOrganometallics · 2002
Typearticle
Languageen
FieldChemistry
TopicOrganoboron and organosilicon chemistry
Canadian institutionsUniversity of CalgaryUniversity of Alberta
Fundersnot available
KeywordsChemistryAdductImineSteric effectsLewis acids and basesFrustrated Lewis pairBoraneMedicinal chemistryCrystallographyStereochemistryOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

Adducts of the N -benzyl imines Ph(R)C NBn (R = Ph, CH 3, H) and t Bu(CH 3 )C NBn and the N -phenyl imine Ph(H)C NPh with the Lewis acid tris(pentafluorophenyl)borane, B(C 6 F 5 ) 3, have been prepared and characterized in solution and in the solid state. For each imine, the Lewis acid is N-bound, with the exception of the sterically demanding base t Bu(CH 3 )C NBn, which reacts with B(C 6 F 5 ) 3 through its enamine tautomer to form an α-C bound adduct, 5 . In the N-bound imine−borane adducts 1 − 4, steric crowding and π-stacking between C 6 F 5 and C 6 H 5 rings results in restricted rotation about the B−N and B−C bonds; the dynamic behavior which results can be studied using variable-temperature 19 F and 1 H NMR spectroscopy. For the unsymmetrical ketimines and aldimines, kinetic adducts of the thermodynamically dominant free imine are observed to form initially upon treatment with B(C 6 F 5 ) 3; these adducts slowly convert thermally to the thermodynamic adducts of the less stable imine. For the ketimine Ph(CH 3 )C NBn, both the kinetic adduct 2-k and the thermodynamic adduct 2-t were fully characterized. In the solid-state structures of all the adducts except 5, one or two C 6 F 5 /C 6 H 5 stacking interactions are present; in one case, the adduct 3-t between B(C 6 F 5 ) 3 and Ph(H)C NBn, intermolecular stacking interactions are apparent in the crystal-packing diagram. The implications of the structures of these adducts for Lewis acid mediated addition of nucleophiles to imines is 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 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 score0.010
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
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0090.000

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 head0.012
GPT teacher head0.206
Teacher spread0.194 · 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

Citations98
Published2002
Admission routes1
Has abstractyes

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