MétaCan
Menu
Back to cohort
Record W2071263329 · doi:10.1021/om000745d

Insertion of Imines and Carbon Monoxide into Manganese−Alkyl Bonds:  Synthesis and Structure of a Manganese−α-Amino Acid Derivative

2001· article· en· W2071263329 on OpenAlexaff
Danny Lafrance, Jason L. Davis, Rajiv Dhawan, Bruce A. Arndtsen

Bibliographic record

VenueOrganometallics · 2001
Typearticle
Languageen
FieldChemistry
TopicAsymmetric Hydrogenation and Catalysis
Canadian institutionsMcGill University
Fundersnot available
KeywordsChemistryMedicinal chemistryImineCarbon monoxideManganeseLigand (biochemistry)AlkylOxidative additionReactivity (psychology)Yield (engineering)StereochemistryCatalysisOrganic chemistry

Abstract

fetched live from OpenAlex

Two new routes have been developed to generate manganese-chelated amides from imine and carbon monoxide building blocks. The reaction of (CO) 5 MnR (R = CH 3, Ph) with ( p -tolyl)(R 1 ) NR 2 (R 1 = H, t Bu; R 2 = alkyl, H) results in the generation of the cyclometalated imine complexes (CO) 4 Mn[η 2 -4-CH 3 -2-(C(R 1 ) NR 2 )-C 6 H 3 ] in 50−84% isolated yield. However, when the reaction of ( p -tolyl)(H)C NCH 3 with (CO) 5 MnCH 3 is performed in the presence of AlCl 3, the product of sequential carbon monoxide and imine insertion is generated in 35% yield: (CO) 4 Mn[η 2 -C(H)( p -tolyl)N(CH 3 )COCH 3 ]. The addition of PPh 3 to the latter complex results in replacement of a carbonyl ligand and formation of the isolable fac -(CO) 3 (PPh 3 )Mn[η 2 -C(H)( p -tolyl)N(CH 3 )COCH 3 ]. In an alternative route to metal-bound amides, the oxidative addition of the N-acyl iminium salt ( p -tolyl(H)C N(CH 3 )COPh + Cl - to (CO) 5 Mn - Na + has been found to lead to the generation of the product of subsequent CO insertion, (CO) 4 Mn[η 2 -COC(H)( p -tolyl)N(CH 3 )COPh]. The latter represents the first example of a acyl-bound transition-metal-chelated α-amino acid complex and has been characterized by X-ray crystallography. Preliminary reactivity studies demonstrate that (CO) 4 Mn[η 2 -COC(H)( p -tolyl)N(CH 3 )COPh] reacts with PPh 3 to generate the unchelated ci s -(CO) 4 (PPh 3 )Mn[COC(H)( p -tolyl)N(CH 3 )COPh], while reaction with NaBH 4 leads to the liberation of the amide ( p -tolyl)CH 2 N(CH 3 )COPh, rather than the amino acid residue.

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)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation 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 score0.029
Threshold uncertainty score0.751

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
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 head0.007
GPT teacher head0.210
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

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, 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

Citations40
Published2001
Admission routes1
Has abstractyes

Explore more

Same venueOrganometallicsSame topicAsymmetric Hydrogenation and CatalysisFrench-language works237,207