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Record W1997947499 · doi:10.1021/jo0007027

Nonplanar Aromatic Compounds. 3. A Proposed New Strategy for the Synthesis of Buckybowls. Synthesis, Structure and Reactions of [7]-, [8]- and [9](2,7)Pyrenophanes

2000· article· en· W1997947499 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueThe Journal of Organic Chemistry · 2000
Typearticle
Languageen
FieldChemistry
TopicSynthesis and Properties of Aromatic Compounds
Canadian institutionsMemorial University of Newfoundland
Fundersnot available
KeywordsMoietyElectrophileBent molecular geometryChemistryTetracyanoethyleneAdductCleavage (geology)AnnulationElectrophilic aromatic substitutionHalogenationAromaticityStereochemistryElectrophilic substitutionPyreneMedicinal chemistryOrganic chemistryMoleculeMaterials scienceCatalysis

Abstract

fetched live from OpenAlex

A new strategy for the synthesis of Buckybowls is presented and initial attempts to implement it are reported. This involves annulation of further rings onto polycyclic aromatic systems that prefer to be planar but have been "pre-bent" by the installation of a tether. Pyrenophane 2b reacts with TCNE and PTAD to give 1:1 and 1:2 adducts, respectively. The less strained pyrenophane 2c is unreactive toward TCNE but gives a 1:2 adduct with PTAD. Attempted electrophilic aromatic brominations of pyrenophane 2e under a variety of conditions were unsuccessful, as were attempts to brominate cyclophanediene 1c, the direct synthetic precursor of 2c. Tether cleavage and addition reactions occurred rather than substitution. In an effort to circumvent tether cleavage problems, [7]-, [8]- and [9](2,7)pyrenophanes 22b-d were prepared. However, attempted bromination and Friedel-Crafts acylations failed. Evidence for the fleeting existence of [6](2,7)pyrenophane 22a was also obtained. Comparison of structural data (X-ray and AM1 calculations) for the pyrenophanes 22a-d with their 1,n-dioxa analogues 2a-d indicates that the nature of the tether has a strong effect on the degree of bend in the pyrene moiety and this led to the identification of trioxapyrenophane 28 as the next target in the quest for increasingly bent pyrenes.

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.

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 score0.020
Threshold uncertainty score0.999

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 science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.000

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 head0.014
GPT teacher head0.220
Teacher spread0.205 · 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