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Record W2021091230 · doi:10.1021/om058047m

Platinum-Catalyzed Formation of Quinolines from Anilines. Aliphatic α-C−H Activation of Alkylamines and Aromatic <i>o</i><i>rtho-</i>C−H Activation of Anilines

2006· article· en· W2021091230 on OpenAlexfundno aff
Stéphane Anguille, Jean‐Jacques Brunet, Ngoc Châu Chu, Ousmane Diallo, Carole Pagès, Sandrine Vincendeau

Bibliographic record

VenueOrganometallics · 2006
Typearticle
Languageen
FieldChemistry
TopicCatalytic C–H Functionalization Methods
Canadian institutionsnot available
FundersYork University
KeywordsChemistryCatalysisPlatinumMedicinal chemistryAnilineOrganic chemistry

Abstract

fetched live from OpenAlex

Platinum(II) bromide catalyzes the reaction of aniline with n -Bu 3 N to give N -butylaniline and 2-propyl-3-ethylquinoline. The formation of the quinoline derivative is strongly favored (TON up to 40) by the presence of both n -Bu 4 PBr and 1-hexene. The same reaction products are formed by reaction of aniline with either n -Bu 2 NH or n -BuNH 2 (PtBr 2 catalyst). Under similar experimental conditions, the “PtBr 2 − n -Bu 4 PBr−1-hexene” system catalyzes the transformation of N -hexylaniline into 2-pentyl-3-butylquinoline (TON up to 42). Similarly, N -ethylaniline affords 2-methylquinoline (TON of 22). In both cases, the presence of 1-hexene strongly favors the conversion of the N -alkylaniline. On the basis of both complementary experiments and literature data, these unprecendented results are interpreted by an α-C−H activation of n -Bu 3 N (iminium species as intermediate), leading to N -butylaniline (butyl group transfer to aniline). The “PtBr 2 −n-Bu 4 PBr−1-hexene” system also catalyzes an α-C−H activation of the alkyl part of N -( n -alkyl)anilines to generate the corresponding imines, which dimerize. A heterocyclization then occurs, via a Pt(II)-catalyzed aromatic ortho -C−H activation, followed by deamination and dehydrogenation (1-hexene as hydrogen acceptor). Although not completely clear, the role of an alkene (1-hexene or ethylene) is highlighted.

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 score0.001
Threshold uncertainty score0.004

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)0.0010.001

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 head0.018
GPT teacher head0.246
Teacher spread0.228 · 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

Citations27
Published2006
Admission routes1
Has abstractyes

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