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Record W2322840544 · doi:10.1021/om200336t

The Thioether–Methyleneborane (PhSCH<sub>2</sub>B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>)<sub>2</sub>: Synthesis and Reactivity with Donors and Alkynes

2011· article· en· W2322840544 on OpenAlexaff
C.A. Tanur, Douglas W. Stephan

Bibliographic record

VenueOrganometallics · 2011
Typearticle
Languageen
FieldChemistry
TopicOrganoboron and organosilicon chemistry
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsChemistryThioetherThioanisoleDimerYield (engineering)Reactivity (psychology)AdductMonomerCrystallographyStereochemistryNuclear magnetic resonance spectroscopyMedicinal chemistryOrganic chemistryPolymerCatalysis

Abstract

fetched live from OpenAlex

2-Bromothioanisole, or thioanisole, was lithiated and subsequently reacted with ClB(C 6 F 5 ) 2 to yield a new compound with the empirical formulation PhSCH 2 B(C 6 F 5 ) 2, 1 . NMR data at low temperature as well as X-ray crystallographic data confirmed this species to be the dimer (PhSCH 2 B(C 6 F 5 ) 2 ) 2, although an equilibrium governs the interconversion of monomer to dimer at room temperature. Compound 1 reacts with P t Bu 3 or OPEt 3 to form adducts PhSCH 2 B(C 6 F 5 ) 2 (L) (L = P t Bu 3 2, OPEt 3 3 ) in 85% and 87% yield, respectively. Compound 1 also reacts with alkynes, namely, PhCCH, C 4 H 9 CCH, PhCCC 4 H 9, C 2 H 5 CCC 2 H 5, and PhCCPh, to give the species (PhSCH 2 B(C 6 F 5 ) 2 )(R′C═CR) (R = H, R′ = Ph 4, C 4 H 9 5, R = Ph, R′ = C 4 H 9 6, R = R′ = C 2 H 5 7, Ph 8 ) in yields in the range 70–92%. X-ray crystallographic analysis of 8 confirmed the five-membered zwitterionic heterocyclic formulation.

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)0.002
metaresearch head score (Gemma)0.002
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Science and technology studies, Scholarly communication, Research integrity
Consensus categoriesMeta-epidemiology (narrow), Science and technology studies, Research integrity
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 score0.066
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0020.002
Meta-epidemiology (narrow)0.0040.004
Meta-epidemiology (broad)0.0040.001
Bibliometrics0.0010.003
Science and technology studies0.0020.003
Scholarly communication0.0010.002
Open science0.0030.002
Research integrity0.0030.004
Insufficient payload (model declined to judge)0.0000.001

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 head0.013
GPT teacher head0.196
Teacher spread0.184 · 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; both teacher heads agree on what is shown here.

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

Citations55
Published2011
Admission routes1
Has abstractyes

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