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Record W2322952939 · doi:10.1021/om1009999

Alkyne/Methylene Coupling at Adjacent Iridium/Osmium Centers: Facile Carbon−Carbon and Carbon−Oxygen Bond Formation

2011· article· en· W2322952939 on OpenAlexaff
T.J. MacDougall, Angela Llamazares, O. Kuhnert, Michael J. Ferguson, Robert McDonald, Martín Cowie

Bibliographic record

VenueOrganometallics · 2011
Typearticle
Languageen
FieldChemistry
TopicSynthetic Organic Chemistry Methods
Canadian institutionsUniversity of Alberta
Fundersnot available
KeywordsChemistryDiazomethaneMethyleneOsmiumIridiumDimethyl acetylenedicarboxylateTriple bondAlkyneMedicinal chemistryCarbeneAcetyleneCarbon fibersDouble bondOrganic chemistryCycloadditionRutheniumCatalysis

Abstract

fetched live from OpenAlex

The methylene-bridged complex [IrOs(CO) 4 (μ-CH 2 )(dppm) 2 ][CF 3 SO 3 ] (dppm = μ-Ph 2 PCH 2 PPh 2 ) ( 3 ) can be synthesized by the addition of diazomethane to [IrOs(CO) 5 (dppm) 2 ][CF 3 SO 3 ] ( 1 ) or [IrOs(CO) 4 (dppm) 2 ][CF 3 SO 3 ] ( 2 ). Reaction of 3 with dimethyl acetylenedicarboxylate (DMAD) leads to the insertion of the alkyne into the iridium−carbon bond, yielding both [IrOs(CO) 4 (μ-κ 1:κ 1 -C(CO 2 CH 3 )═C(CO 2 CH 3 )CH 2 )(dppm) 2 ][CF 3 SO 3 ] ( 5 ) and [IrOs(CO) 3 (μ-κ 1:κ 1 -C(CO 2 CH 3 )═C(CO 2 CH 3 )CH 2 )(dppm) 2 ][CF 3 SO 3 ] ( 6 ), each of which can be obtained as the exclusive product under either CO or an Ar purge, respectively. Hexafluorobutyne (HFB) fails to react with 3, but reacts with [IrOs(CO) 3 (μ-CH 2 )(dppm) 2 ][CF 3 SO 3 ] ( 4 ) yielding [IrOs(CO) 3 (μ-κ 1:κ 1 -C(CF 3 )═C(CF 3 )CH 2 )(dppm) 2 ][CF 3 SO 3 ] ( 7 ). Reaction of 7 with diazomethane results in the insertion of a second methylene unit into the iridium−carbon bond, yielding [IrOs(CO) 3 (μ-κ 1:κ 1 -CH 2 (CF 3 )C═C(CF 3 )CH 2 )(dppm) 2 ][CF 3 SO 3 ] ( 9 ), which can be characterized by NMR spectroscopy only at low temperatures owing to deinsertion of the iridium-bound methylene group at ambient temperature. Compound 6 also reacts with diazomethane but in this case results in the formation of a new carbon−oxygen bond between the newly introduced methylene unit and a carbonyl oxygen of the inserted DMAD fragment. This bond formation is accompanied by carbon−hydrogen bond activation of the original osmium-bound methylene group, yielding [IrOs(CO) 3 (μ-H)(μ-κ 1:κ 1:κ 1 -CH 2 OC(OCH 3 )═CC(CO 2 CH 3 )═CH)(dppm) 2 ][CF 3 SO 3 ] ( 8 ). Attempts to insert a methylene unit into the iridium−carbon bond of the alkyne-bridged complexes [IrOs(CO) 3 (μ-κ 1:κ 1 -RC═CR)(dppm) 2 ][CF 3 SO 3 ] (R = CO 2 Me ( 12 ), CF 3 ( 13 )) yields the C 3 -bridged complex [IrOs(CO) 3 (μ-κ 1:κ 1 -CH 2 (CF 3 )C═CCF 3 )(dppm) 2 ][CF 3 SO 3 ] ( 14 ) in the case of 13, but no further methylene incorporation is observed. Compound 12 reacts with diazomethane to give a number of unidentified products under a variety of conditions. The reactivities of the aforementioned complexes are compared to that of related late metal combinations.

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)0.000
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 score0.039
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.001
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.032
GPT teacher head0.233
Teacher spread0.201 · 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

Citations8
Published2011
Admission routes1
Has abstractyes

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