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Record W2319636707 · doi:10.1021/cs400636k

Aerobic Oxidation of β-1 Lignin Model Compounds with Copper and Oxovanadium Catalysts

2013· article· en· W2319636707 on OpenAlexaff
Baburam Sedai, Christian Díaz-Urrutia, R. Tom Baker, Ruilian Wu, Louis A. Silks, Susan K. Hanson

Bibliographic record

VenueACS Catalysis · 2013
Typearticle
Languageen
FieldEngineering
TopicLignin and Wood Chemistry
Canadian institutionsUniversity of Ottawa
Fundersnot available
KeywordsChemistryKetoneVanadiumCatalysisBond cleavageAldehydeAlcohol oxidationLigninOrganic chemistryMedicinal chemistryAlcoholCopperChemoselectivity

Abstract

fetched live from OpenAlex

The reactivity of homogeneous oxovanadium and copper catalysts toward aerobic oxidation of phenolic and nonphenolic β-1 lignin model compounds has been investigated. Aerobic oxidation of diastereomeric, nonphenolic β-1 lignin models ( 1T, 1E ) using the six-coordinate vanadium complex (HQ) 2 V V (O)(O i Pr) (HQ = 8-oxyquinolinate) as a precatalyst in pyridine afforded ketone ( 3 ) and dehydrated ketone ( 4 ) derived from oxidation of the secondary alcohol. In contrast, using CuOTf/2,6-lutidine/TEMPO (OTf = trifluoromethanesulfonate, TEMPO = 2,2,6,6-tetramethyl-piperidin-1-yl-oxyl) in toluene for the same reaction afforded 3,5-dimethoxybenzaldehyde ( 5 ) and 4-methoxybenzaldehyde ( 6 ) as major products resulting from C α –C β bond cleavage. Reactions of the corresponding phenolic lignin model compounds ( 2T, 2E ) with 10 mol % CuOTf/2,6-lutidine/TEMPO gave ketone ( 9 ) as the major product, whereas 10 mol % (HQ) 2 V V (O)(O i Pr) or a stoichiometric amount of CuOTf/2,6-lutidine/TEMPO yielded 2,6-dimethoxybenzoquinone ( 10 ) as the major product, arising from cleavage of the C aryl –C α bond. Different selectivity was observed in the oxidation of 2T, 2E using the five-coordinate complex (dipic)V V (O)(O i Pr) (dipic = dipicolinate), with α,β-unsaturated aldehyde ( 14 ) as the major product (formed from oxidation of the primary alcohol and dehydration). The key differences in chemoselectivity between the vanadium and copper catalysts in the oxidations of these phenolic and nonphenolic β-1 lignin models 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.

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 score0.048
Threshold uncertainty score0.460

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 head0.004
GPT teacher head0.159
Teacher spread0.156 · 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

Citations109
Published2013
Admission routes1
Has abstractyes

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