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Record W1978040026 · doi:10.1021/om030165r

Carbon−Carbon Bond Formation Promoted by Adjacent Metal Centers:  Regioselective Alkyne Insertions into a “Rh(μ-CH<sub>2</sub>)Ru” Moiety Yielding C<sub>3</sub>- and C<sub>5</sub>-Bridged Fragments

2003· article· en· W1978040026 on OpenAlexaff
B.D. Rowsell, Robert McDonald, Michael J. Ferguson, Martín Cowie

Bibliographic record

VenueOrganometallics · 2003
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Complex Synthesis and Catalysis
Canadian institutionsUniversity of Alberta
Fundersnot available
KeywordsChemistryAlkyneMethyleneDimethyl acetylenedicarboxylateRegioselectivitySubstituentMedicinal chemistryMoietyTriple bondStereochemistryAcetylenedicarboxylateDouble bondOrganic chemistryCatalysisCycloaddition

Abstract

fetched live from OpenAlex

The heterobinuclear complex [RhRu(CO) 3 (μ-CH 2 )(dppm) 2 ][CF 3 SO 3 ] ( 2 ) (dppm = Ph 2 PCH 2 PPh 2 ), generated in situ from the tetracarbonyl precursor, reacts with the alkynes, dimethyl acetylenedicarboxylate, hexafluoro-2-butyne, and diethyl acetylenedicarboxylate to give the C 3 -bridged products [RhRu(CO) 3 (μ-η 1:η 1 -C(R) C(R)CH 2 )(dppm) 2 ][CF 3 SO 3 ] (R = CO 2 CH 3 ( 3 ), CF 3 ( 4 ), CO 2 CH 2 CH 3 ( 5 )), in which the alkynes have inserted into the Rh−C bond of the bridging methylene group. Compound 2 also reacts with 2-butyn-1-al diethylacetal and 2-butyn-1-ol, producing the insertion products [RhRu(CO) 3 (μ-η 1:η 1 -C(CH 3 ) C(R)CH 2 )(dppm) 2 ][CF 3 SO 3 ] (R = CH(OEt) 2 ( 6 ), CH 2 OH ( 7 )) analogous to compounds 3 − 5 . The regiochemistry of alkyne insertion in both cases has been established by 2-D NMR spectroscopy; the methyl substituent is adjacent to Rh, and the oxygen-containing substituent is adjacent to the methylene group. Attempts to generate an isomer of 3 by the reverse sequence of methylene insertion into the Rh−C bond of the alkyne-bridged species [RhRu(CO) 3 (μ-η 1:η 1 -C(CO 2 CH 3 ) C(CO 2 CH 3 ))(dppm) 2 ][X] (X = BF 4 ( 8a ), CF 3 SO 3 ( 8b )) failed with no reaction occurring, although reaction of the dicarbonyl analogue, [RhRu(OSO 2 CF 3 )(CO) 2 (μ-η 1:η 1 -C(CO 2 CH 3 ) C(CO 2 CH 3 ))(dppm) 2 ], with CH 2 N 2 results in methylene insertion into the Rh−Ru bond to give [RhRu(OSO 2 CF 3 )(CO) 2 (μ-CH 2 )(μ-η 1:η 1 -C(CO 2 CH 3 ) C(CO 2 CH 3 ))(dppm) 2 ] ( 10 ). Reaction of 3 with trimethylamine- N -oxide results in loss of a carbonyl and a rearrangement of the C 3 -bridged group, affording [RhRu(CO) 2 (μ-η 1:η 3 -CHC(CO 2 CH 3 ) CH(CO 2 CH 3 ))(dppm) 2 ][CF 3 SO 3 ] ( 11 ). Propargyl alcohol reacts with 2, affording a double-insertion product [RhRu(CO) 2 (μ-η 2:η 4 -CH C(CH 2 OH)CH C(CH 2 OH)CH 2 )(dppm) 2 ][CF 3 SO 3 ] ( 12 ) with incorporation of two propargyl alcohol units in a head-to-tail arrangement. The structures of compounds 4, 8a, and 12 were determined by X-ray methods.

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)
Consensus categoriesMeta-epidemiology (narrow)
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 score0.012
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.002
Science and technology studies0.0010.000
Scholarly communication0.0000.001
Open science0.0010.000
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0000.000

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 head0.010
GPT teacher head0.198
Teacher spread0.188 · 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

Citations36
Published2003
Admission routes1
Has abstractyes

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