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Record W4416740378 · doi:10.1021/acs.joc.5c01626

Regiodivergent Switchable N1- and C3-Alkylation of Indoles with Grignard Reagents Based on Umpolung Strategy

2025· article· en· W4416740378 on OpenAlexaff
Hengyu Li, Shucheng Liu, Jiuling Li, Shouyan Shao, Xingchen Yan, Jianming Pan

Bibliographic record

VenueThe Journal of Organic Chemistry · 2025
Typearticle
Languageen
FieldChemistry
TopicCatalytic C–H Functionalization Methods
Canadian institutionsMinistry of Education and Child Care
FundersHigh Level Innovation and Entrepreneurial Research Team Program in JiangsuNational Key Research and Development Program of ChinaNational Natural Science Foundation of China
KeywordsUmpolungAlkylationReagentRegioselectivityReactivity (psychology)CatalysisIndole testGrignard reagent

Abstract

fetched live from OpenAlex

Herein, we present a regiodivergent method for N1- and C3-alkylation of indoles with reversed polarity, triggered by the incorporation of a benzoyloxy leaving group at the N1-position. This approach employs Grignard reagents as versatile nucleophiles, in contrast to conventional regiodivergent indole alkylation methods that rely on alkenes as alkylation reagents. The key to achieving switchable regioselectivity is our discovery that cyclic ether solvents can suppress background N1-alkylation, allowing copper catalysis to selectively divert reactivity toward the C3-position. This reaction system exhibits complete conversion, nearly absolute regioselectivity, and excellent yields across a broad scope of Grignard reagents and substrates.

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 score0.003

Distilled classifier scores by category (both heads)

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

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 head0.015
GPT teacher head0.252
Teacher spread0.237 · 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

Citations1
Published2025
Admission routes1
Has abstractyes

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