MétaCan
Menu
Back to cohort
Record W2949888588 · doi:10.3987/com-13-s(s)85

Yb(OTf)3-Mediated Ring Opening of Functionalized Cyclopentane Epoxides with Aniline: Aspects of Regiochemistry and Stereochemistry

2013· article· en· W2949888588 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

VenueHeterocycles · 2013
Typearticle
Languageen
FieldChemistry
TopicSynthetic Organic Chemistry Methods
Canadian institutionsUniversité de Montréal
Fundersnot available
KeywordsChemistryRegioselectivityAnilineEpoxideRing (chemistry)StereochemistryAlkoxy groupElectrophilic substitutionMoietyCyclopropanationLewis acids and basesMedicinal chemistryOrganic chemistryCatalysisAlkyl

Abstract

fetched live from OpenAlex

The ring-opening reaction of cyclopentan-1-ol 2,3-epoxides bearing alkoxy and hydroxyl groups with aniline was studied in the presence of Yb(OTf) 3 in refluxing toluene.The syn-and anti-relationship of the alkoxy group has an influence on the regioselectivity of attack affording aniline adducts at the secondary or tertiary position.The antibiotic pactamycin 1 isolated in 1961 from a fermentation broth of Streptomyces pactum var.pactum, is a unique member of a handful of naturally occurring aminocyclopentitols 2 (Figure 1).It exhibits activity against bacterial and also as a cytotoxic agent against cancer cell lines. 3Among the several functional groups and unusual patterns of substitution is the presence of a 3-acetyl aniline moiety at C-3.A key reaction in our total synthesis of pactamycin 4 was the introduction of a 3-isopropenyl aniline through the highly regioselective ring opening of an epoxide spanning a secondary and a tertiary carbon center mediated by Yb(OTf) 3 (Scheme 1). 5 The same type of reaction allowed us to prepare a number of substituted aniline analogs of de-6-methylsalicylyl pactamycin and to study their biological activities (Figure 1). 6trigued by the exclusive formation of the aniline corresponding to ring opening at the secondary carbon atom as hoped for, we initiated a study of the ring-opening of stereoisomeric model cyclopentan-1-ol 2,3epoxides with aniline in the presence of Yb(OTf) 3 as a Lewis acid. 7‡ Dedicated to Professor Victor Snieckus wishing him the best in chemistry and in life.

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 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 score0.022
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)0.0030.000

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 head0.234
Teacher spread0.222 · 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