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Record W2784399944 · doi:10.1021/acs.organomet.7b00837

Metal Heptafluoroisopropyl (M-hfip) Complexes for Use as hfip Transfer Agents

2018· article· en· W2784399944 on OpenAlexafffund
Nicholas O. Andrella, Karen Liu, Bulat Gabidullin, Monica Vasiliu, David A. Dixon, R. Tom Baker

Bibliographic record

VenueOrganometallics · 2018
Typearticle
Languageen
FieldPharmacology, Toxicology and Pharmaceutics
TopicFluorine in Organic Chemistry
Canadian institutionsUniversity of Ottawa
FundersNatural Sciences and Engineering Research Council of CanadaCanada Research ChairsCanada Foundation for InnovationUniversity of Ottawa
KeywordsChemistryMetalCombinatorial chemistryPolymer chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

New coinage-metal heptafluoroisopropyl (L n M-hfip) complexes are synthesized from the metal fluoride and inexpensive hexafluoropropene (M = Ag, Cu; L = PPh 3, 2,2,6,6-tetramethylpiperidine (Htmp)). Reaction of the silver Htmp complex with a Ni dibromide complex led to efficient hfip transfer to afford L 2 NiBr(hfip) (L = 2-ethylpyridine). Treatment of the Ni-hfip complex with ZnPh 2 gave the corresponding L 2 NiPh(hfip) complexes, which were investigated for reductive elimination of PhCF(CF 3 ) 2 . Although the desired reductive elimination proved unsuccessful, addition of carbon monoxide to L 2 NiPh(hfip) effected an efficient heptafluoroisopropyl carbonylative cross-coupling. Further, while the silver complex does not undergo hfip transfer to organic electrophiles, the copper complex (phen)(PPh 3 )Cu(hfip) ( 3b ) effectively transfers the hfip unit to various substrates. We investigated the scope of 3b with acid chlorides toward the synthesis of perfluoroisopropyl aryl ketones. Additionally, reaction conditions for hfip transfer to p -fluorobenzyl bromide and p -fluorobenzaldehyde were identified. As a bonus, 3b was easily generated on a gram scale using commercially available copper hydride by taking advantage of a rapid hydrodefluorination to generate “Cu–F” in situ. Aspects of the observed reactivity are supported by DFT calculations.

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 score0.002
Threshold uncertainty score0.005

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 integrity0.0010.000
Insufficient payload (model declined to judge)0.0020.001

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 head0.181
GPT teacher head0.433
Teacher spread0.252 · 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

Citations22
Published2018
Admission routes2
Has abstractyes

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