<i>trans</i>-[1,3-Bis(2,6-Di-3-pentylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(II) Dichloride (<i>Pd-PEPPSI</i><sup>TM</sup>-<i>IPent</i>)
Bibliographic record
Abstract
[1158652-41-5] C40H56Cl3N3Pd (MW 791.67) InChI = InChI=1S/C35H53N2.C5H4ClN.2ClH.Pd/c1-9-26(10-2)30-19-17-20-31(27(11-3)12-4)34(30)36-23-24-37(25-36)35-32(28(13-5)14-6)21-18-22-33(35)29(15-7)16-8;6-5-2-1-3-7-4-5;;;/h17-29H,9-16H2,1-8H3;1-4H;2*1H;/q;;;;+2/p-2 InChIKey = MSZBXTMQAMAAOX-UHFFFAOYSA-L (precatalyst for Pd-mediated C–C, C–N, and C–S cross-coupling reactions)2-14 Physical Data: mp 195–201 °C. Solubility: soluble in most organic solvents except for aliphatic hydrocarbons (e.g., pentane or hexanes); insoluble in water. Form Supplied in: pale to dark yellow solid. Available from Sigma-Aldrich. Analysis of Reagent Purity: NMR analysis. Preparative Methods: heating PdCl2 (1.05 mmol), N,N-(2,6-di-pentylphenyl)imidazolium chloride (1; IPent·HCl; 1.0 mmol), and powdered Cs2CO3 (5.0 mmol) at 90 °C in neat 3-chloropyridine (5 mL) with vigorous stirring for 18 h (eq 1) afforded Pd-PEPPSITM-IPent (2; 80%) as a beige powder following filtration through a plug of silica gel/celite (CH2Cl2), vacuum distillation of excess 3-chloropyridine, a second filtration through a silica gel/celite plug, and trituration with pentane. Purification: precipitation with pentane from concentrated ether or CH2Cl2 solution or flash chromatography on silica gel (pentane : CH2Cl2 = 1:2). Handling, Storage, and Precautions: stable under ambient conditions in solid form or in solution. Incompatible with strong acids, bases, oxidizing, and reducing agents.
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 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 | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.009 | 0.004 |
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".