Catalytic Cascade for Biomass Valorisation: Coupled Hydrogen Transfer Initiated Dehydration and Self-Aldol Condensation for the Synthesis of 2-methyl-pent-2-enal from 1,3-propanediol
Bibliographic record
Abstract
A one-pot, one-step protocol combining hydrogen transfer initiated dehydration (HTID) of 1,3-propanediol (1,3-PDO), catalysed by [Cp*IrCl2(NHC)] (Cp* = pentamethylcyclopentadienyl; NHC = carbene ligand) complexes (1-5H and 1-3F), and self-aldol condensation (SAC) of propanal (2), allowed selective production of C6 aldehyde 2-methyl-pent-2-enal (3), in ionic liquids with high substrate conversion. This shows, for the first time, the conversion of 1,3-propanediol to C6 aldehydes in one pot via a catalytic hydrogen borrowing methodology. The Ir(III) pre-catalysts and the ionic liquids were recyclable. C6 aldehyde 2-methyl-pent-2-enal could also be selectively produced in the presence of water and in neat 1,3-PDO. The efficient, selective delivery of a value-added chemical from 1,3-PDO, a major product of many whole-cell bacterial fermentation processes, shows that the combination of chemo-catalytic processing of the chemical platform via Cp*IrCl2(NHC)-catalysed HTID/SAC with bio-catalysis has the potential to allow direct valorisation of the bio-renewable feedstocks, such as waste glycerol and sugars, into valuable chemicals.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.002 | 0.001 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
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".