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Record W2161830516 · doi:10.1002/hlca.201200146

Preparation and Characterization of New<i>C</i><sub>2</sub>‐ and<i>C</i><sub>1</sub>‐Symmetric Nitrogen, Oxygen, Phosphorous, and Sulfur Derivatives and Analogs of TADDOL. Part I

2012· article· en· W2161830516 on OpenAlexaff
A. Pichota, Völker Gramlich, Albert K. Beck, Dieter Seebàch

Bibliographic record

VenueHelvetica Chimica Acta · 2012
Typearticle
Languageen
FieldChemistry
TopicAsymmetric Synthesis and Catalysis
Canadian institutionsInstitute of Particle Physics
Fundersnot available
KeywordsChemistrySulfanylCatalysisReagentEnantioselective synthesisAlkoxy groupMedicinal chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract The chloro alcohols 4 – 6 derived from TADDOLs (= α , α , α′ , α′ ‐tetraaryl‐1,3‐dioxolan‐4,5‐dimethanols) are used to prepare corresponding sulfanyl alcohols, ethers, and amines ( Scheme 1 and Table 1 ). The dithiol analog of TADDOL and derivatives thereof, 45 – 49 , were also synthesized. The crystal structures of 16 representatives of this series of compounds are reported ( Figs. 1 – 3 and Scheme 2 ). The thiols were employed in Cu‐catalyzed enantioselective conjugate additions of Grignard reagents to cyclic enones, with cycloheptenone giving the best results (er up to 94 : 6). The enantioselectivity reverses from Si ‐addition with the sulfanyl alcohol to Re ‐addition with the alkoxy or dimethylamino thiols ( Table 4 ). Cu I ‐Thiolates, 50 – 53 , could be isolated in up to 84% yield ( Scheme 2 ) and were shown to have tetranuclear structures in the gas phase (by ESI‐MS), in solution (CH 2 Cl 2 , THF; by vapor‐pressure osmometry and by NMR pulsed‐gradient diffusion measurements; Table 5 ), and in the solid state (X‐ray crystal structures in Scheme 2 ). The Cu complex 50 of the sulfanyl alcohol is stable in air and in the presence of weak aqueous acid, and it is a highly active catalyst (0.5 mol‐%) for the 1,4‐additions, leading to the same enantio‐ and regioselectivities observed with the in situ generated catalyst (6.5 mol‐%; Scheme 3 ). Since the reaction mixtures contain additional metal salts (MgX 2 , LiX) it is not possible at this stage, to propose a mechanistic model for the conjugate additions.

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 categoriesMeta-epidemiology (narrow)
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 score0.048
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
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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 head0.011
GPT teacher head0.218
Teacher spread0.208 · 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

Citations17
Published2012
Admission routes1
Has abstractyes

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