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Record W2071487310 · doi:10.1021/om058041x

Alkyne/Methylene Coupling Reactions at Adjacent Rh/Os Centers:  Stepwise Transformations from C<sub>1</sub>- through C<sub>4</sub>-Bridged Species

2005· article· en· W2071487310 on OpenAlex
J.R. Wigginton, A. Chokshi, T.W. Graham, Robert McDonald, Michael J. Ferguson, Martín Cowie

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueOrganometallics · 2005
Typearticle
Languageen
FieldChemistry
TopicCyclopropane Reaction Mechanisms
Canadian institutionsUniversity of Alberta
Fundersnot available
KeywordsChemistryAlkyneDiazomethaneDimethyl acetylenedicarboxylateMedicinal chemistryMethyleneOsmiumTriple bondStereochemistryYield (engineering)CycloadditionDouble bondCatalysisOrganic chemistryRuthenium

Abstract

fetched live from OpenAlex

Reaction of the methylene-bridged complex [RhOs(CO) 3 (μ-CH 2 )(dppm) 2 ][CF 3 SO 3 ] (dppm = μ-Ph 2 PCH 2 PPh 2 ) with dimethyl acetylenedicarboxylate or hexafluorobutyne results in alkyne insertion into the Rh−CH 2 bond, yielding [RhOs(CO) 3 (μ-η 1:η 1 -RC C(R)CH 2 )(dppm) 2 ][CF 3 SO 3 ] (R = CO 2 Me ( 5 ), CF 3 ( 6 )). Carbonyl removal from each of these species results in a Rh-bound carbonyl being replaced by a triflate ion. Reaction of 5 with diazomethane results in CH 2 insertion into the Rh−C(R) bond with accompanying C−H activation of the original osmium-bound CH 2 group, yielding [RhOs(CO) 3 (μ-η 1:η 1 -CH 2 C(R) C(R)CH)(μ-H)(dppm) 2 ][CF 3 SO 3 ] (R = CO 2 Me). Reaction of the alkyne-bridged species [RhOs(CO) 3 (μ-η 1:η 1 -RC CR)(dppm) 2 ][CF 3 SO 3 ] (R = CO 2 Me) with diazomethane at −78 °C yields [RhOs(CO) 3 (μ-η 1:η 1 -CH 2 C(R) CR)(dppm) 2 ][CF 3 SO 3 ] ( 12 ), which upon warming to ambient temperature, in the absence of diazomethane, undergoes alkyne deinsertion to yield [RhOs(CO) 3 (η 2 -RC⋮CR)(μ-CH 2 )(dppm) 2 ][CF 3 SO 3 ] ( 13 ). This species and the inserted product ( 12 ) appear to be in equilibrium, so reaction of 13 with diazomethane proceeds via 12 to give [RhOs(CO) 3 (η 1:η 1 -CH 2 CH 2 C(R) CR)(dppm) 2 ][CF 3 SO 2 ] ( 14 ), in which the hydrocarbyl fragment is chelating to Os and interacting with Rh via an agostic interaction with one of the Os-bound CH 2 hydrogens. Upon standing for weeks, or more rapidly upon refluxing, compound 14 transforms into an isomer ( 15 ) in which the C 4 unit has migrated from sites on Os adjacent to Rh to sites on Os remote from Rh. An X-ray structure determination of compound 15 as the BF 4 - salt confirms the geometry of this final species. Reaction of the hexafluorobutyne-bridged species [RhOs(CO) 3 (μ-η 1:η 1 -RC CR)(dppm) 2 ][CF 3 SO 3 ] (R = CF 3 ) with diazomethane does not give a product analogous to that described for dimethyl acetylenedicarboxylate, but yields the isomer 6 . These carbon−carbon bond forming processes are discussed.

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.

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), Insufficient payload (model declined to judge)
Consensus categoriesInsufficient payload (model declined to judge)
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 score0.072
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0000.001
Science and technology studies0.0010.000
Scholarly communication0.0000.001
Open science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0020.002

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 head0.223
Teacher spread0.202 · 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