MétaCan
Menu
Back to cohort
Record W4386169123 · doi:10.1021/acs.organomet.3c00204

Alkali Metal Amide Salts of a Bulky Nitrogen Tethered Phosphonium Fluorenide Ligand

2023· article· en· W4386169123 on OpenAlexafffund
Tanner George, Jason D. Masuda

Bibliographic record

VenueOrganometallics · 2023
Typearticle
Languageen
FieldChemistry
TopicSynthetic Organic Chemistry Methods
Canadian institutionsSaint Mary's University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryEnamineDeprotonationPhosphoniumLigand (biochemistry)Medicinal chemistryMoleculeStereochemistryPolymer chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

The reaction of a previously reported phosphine-imine ligand with 9-bromofluorene afforded a phosphonium bromide (E)-enamine that, upon deprotonation, affords an enamine tethered to a phosphonium fluorenide moiety. Isolation of various crystals of this enamine and subsequent analysis by single-crystal X-ray diffraction showed that both (E)- and (Z)-isomers occur, which is supported by three dynamic isomers in C 6 D 6 . 1 H NMR spectroscopy revealed that the enamine phosphonium fluorenide is the dominant isomer and is also observed within all four solid-state crystal structures of 3 . The solvent-free 3 and 0.5(THF, n-hexane) solvate of 3 occur as the (Z)-enamine, while co-crystallization of either diethyl ether or 3 molecules of THF resulted in the (E)-enamine of 3 . The ability for compound 3 to participate in two types of hydrogen bonds between either the methyne or amine protons with THF was observed from the 0.5(THF, n-hexane) and 3(THF) solvates, respectively. Subsequent deprotonation of the secondary amine with lithium-, sodium-, and potassium-containing bases yielded metal amides, forming mostly monomeric structures. Each alkali metal is chelated by one ligand with a coordinating solvent molecule (Et 2 O or THF), with the only exception being a potassium complex that lacked a coordinating solvent. This potassium complex has this donor vacancy filled by an intermolecular interaction with the backside of an adjacent 6-membered fluorenide ring, forming a polymer with n-hexane within the channels. This crystalline form readily de-solvates upon crushing and prolonged drying in vacuo. The single crystal X-ray structure of these complexes as various solvates with diethyl ether (Li, K), THF (Li, Na), and n-hexane (K) revealed the highly dynamic donor properties of the phosphonium fluorenide undergoing a wide range of η 2–6 interactions with the alkali metals.

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)0.001
metaresearch head score (Gemma)0.001
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 score0.010
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
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 science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0060.001

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 head0.020
GPT teacher head0.261
Teacher spread0.241 · 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

Citations2
Published2023
Admission routes2
Has abstractyes

Explore more

Same venueOrganometallicsSame topicSynthetic Organic Chemistry MethodsFrench-language works237,207