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Record W1976509179 · doi:10.1021/ja102356j

On the Origin of Siphonariid Polypropionates: Total Synthesis of Baconipyrone A, Baconipyrone C, and Siphonarin B via their Putative Common Precursor

2010· article· en· W1976509179 on OpenAlexaff
Garrison E. Beye, Dale E. Ward

Bibliographic record

VenueJournal of the American Chemical Society · 2010
Typearticle
Languageen
FieldChemistry
TopicChemical synthesis and alkaloids
Canadian institutionsUniversity of Saskatchewan
Fundersnot available
KeywordsChemistryTautomerEnantioselective synthesisEnolStereochemistryClaisen rearrangementTotal synthesisAldol reactionKeto–enol tautomerismHemiacetalOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

The hypothesis that siphonariid polypropionates originate from nonenzymatic processes on acyclic biosynthetic precursors was tested by examining the properties of the putative common precursor for the S. zelandica decapropionates siphonarin B, caloundrin B, baconipyrone A, and baconipyrone C, i.e., (4S,5S,6S,8RS,10S,11S,12R,14R)-14-(6-ethyl-3,5-dimethyl-4-oxo-4H-pyran-2-yl)-5,11-dihydroxy-4,6,8,10,12-pentamethylpentadecane-3,7,9,13-tetraone. The first synthesis of such a precursor was achieved in an efficient and fully enantioselective manner using a thiopyran-based strategy for polypropionate synthesis. This putative precursor, a complex mixture of ring-chain and keto-enol tautomers, was kinetically stable and isomerized exceedingly slowly to the thermodynamically more stable siphonarin B. In the presence of imidazole, the mixture reached apparent equilibrium within several hours giving siphonarin B as the predominant component (ca. 70%), thereby constituting its enantioselective total synthesis. In the presence of alumina, both siphonarin B and the dihydroxytetraone precursor underwent retro-Claisen rearrangements (via a hemiacetal tautomer) to give baconipyrones A and C among other products. This is the first total synthesis of baconipyrone A and "biomimetic" synthesis of baconipyrone C. Control experiments suggested that baconipyrone A was produced in an unprecedented cascade process where the intermediate enol(ate) of the retro-Claisen rearrangement was directly engaged in aldol cyclization while baconipyrone C resulted from simple ketonization of the enol(ate). These experiments provide the first unambiguous demonstration that the baconipyrones are plausible isolation artifacts and suggest they are most likely derived from siphonarins rather than an "acyclic" precursor. Caloundrin B was not detected among the products from any of the isomerization experiments, suggesting the possibility that it is an unstable biosynthetic product.

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 integrity0.0000.000
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 head0.008
GPT teacher head0.228
Teacher spread0.220 · 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

Citations33
Published2010
Admission routes1
Has abstractyes

Explore more

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