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Record W2320507318 · doi:10.1021/cs200149v

Comparison of Copper and Vanadium Homogeneous Catalysts for Aerobic Oxidation of Lignin Models

2011· article· en· W2320507318 on OpenAlex

Why this work is in the frame

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

Bibliographic record

VenueACS Catalysis · 2011
Typearticle
Languageen
FieldChemistry
TopicOxidative Organic Chemistry Reactions
Canadian institutionsUniversity of Ottawa
Fundersnot available
KeywordsKetoneChemistryCatalysisVanadiumFormic acidBenzoic acidOrganic chemistry

Abstract

fetched live from OpenAlex

The reactivity of copper and vanadium catalysts toward the aerobic oxidation of lignin models has been explored. Both (dipic)V V (O)(O i Pr) ( 3 ) (dipic = dipicolinate) and CuCl/TEMPO (TEMPO = tetramethylpiperidine N -oxide) catalyzed the aerobic oxidation of the lignin model compound 1,2-diphenyl-2-methoxyethanol ( 2 ). The vanadium catalyst 3 produced benzoic acid (85%) and methyl benzoate (84%) as the major products via the intermediate ketone benzoin methyl ether ( 4 ). The copper catalyzed reaction afforded benzaldehyde (84%) and methylbenzoate (88%) directly, with no intermediate formation of 4 . The more complex lignin model system 1-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol-[2,3- 13 C 2 ] ( 5 - 13 C 2 ) was oxidized under air by vanadium catalyst 3, affording ketone 7 - 13 C 2 (65%), dehydrated ketone 8 - 13 C 2 (5%), alkene product 9 - 13 C 2 (14%), 3,5-dimethoxybenzoic acid (11%), 3,5-dimethoxybenzaldehyde (2%), 2-methoxyphenol, and formic acid- 13 C 1 (4%). Aerobic oxidation of ketone 7 - 13 C 2 using catalyst 3 produced dehydrated ketone 8 - 13 C 2, 3,5-dimethoxybenzoic acid, and formic acid- 13 C 1, suggesting that 7 is further oxidized under the catalytic conditions. In contrast, oxidation of β-O-4 model 5 - 13 C 2 using CuCl/TEMPO affords 3,5-dimethoxybenzaldehyde (43%), 3,5-dimethoxybenzoic acid (13%), 2-methoxyphenol (7%), formic acid- 13 C 1 (7%), ketone- 7 13 C 2 (1%), dehydrated ketone 8 - 13 C 2 (2%), and a number of higher molecular weight products, as determined by 1 H and 13 C NMR, GC-MS, and LC-MS. Attempted oxidation of ketone 7 using CuCl/TEMPO yielded primarily dehydrated ketone 8, indicating that the ketone is not an intermediate in the formation of the aldehyde product. The reactivities of the copper and vanadium catalysts in the oxidation of lignin model compounds 2 and 5 are discussed. Remarkably different selectivities were observed for the vanadium and copper catalyzed reactions, suggesting the potential of homogeneous catalysts for controlling selectivity in the aerobic oxidation of lignin.

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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 score0.004
Threshold uncertainty score0.669

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
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 head0.060
GPT teacher head0.285
Teacher spread0.225 · 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