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Record W4413425254 · doi:10.26434/chemrxiv-2025-xv7kq

Four-Component Reactions of [n.1.1]Propellanes (n = 1 or 3) Triggered by Electrophilic Activation

2025· article· en· W4413425254 on OpenAlexaff
Sarah Livesley, Ching Ching Lam, Andrew Hackett, James Somper, Maneesh Kumar Reddy Singam, Craig M. Robertson, James D. F. Thompson, Fernanda Duarte, Sam Butterworth, K. N. Houk, Christophe Aïssa

Bibliographic record

VenueChemRxiv · 2025
Typearticle
Languageen
FieldChemistry
TopicOrganic Chemistry Cycloaddition Reactions
Canadian institutionsSmiths Detection (Canada)
FundersDivision of ChemistryOffice of Advanced CyberinfrastructureEngineering and Physical Sciences Research CouncilEli Lilly and CompanySan Diego Supercomputer CenterUniversity of OxfordUniversity of LiverpoolAstraZenecaCroucher FoundationNational Science Foundation
KeywordsElectrophileComponent (thermodynamics)ChemistryPhysicsOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

Exposure of [n.1.1]propellanes (n = 1 or 3) to acidic nucleophiles typically gives decomposition products due to the instability of bicyclo[n.1.1]alkyl carbocations. This instability makes the synthesis of functionalized bicyclo[n.1.1]alkanes from protic nucleophiles by electrophilic activation of [n.1.1]propellanes particularly challenging. In stark contrast, we now report a four-component reaction between [n.1.1]propellanes (n = 1 or 3), N-iodosuccinimide, nine cyclic ethers and ten classes of protic nucleophiles, that maintains the structural integrity of the bicyclo[n.1.1]alkyl motif in the products. Crucially, this reaction gives one-step access to 4-hydroxy thalidomide derivatives that enabled us to demonstrate in a whole cell assay that a n-butoxy-bicyclo[1.1.1]pentyl linker is tolerated by cereblon, a component of E3 ligase, which is an important target of proteolysis-targeting chimeras. Experimental rate law and theoretical calculations with a model nucleophile suggest that the four-component reaction relies on the attack by THF of a halogen bond complex formed between N-iodosuccinimide and the propellane, which is assisted by hydrogen bonding of the protic nucleophiles to the succinimide component.

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 categoriesInsufficient 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 score0.101
Threshold uncertainty score0.995

Codex and Gemma teacher scores by category

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)0.0060.000

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 head0.013
GPT teacher head0.236
Teacher spread0.223 · 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

Citations0
Published2025
Admission routes1
Has abstractyes

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