3-(2,4,6-Trimethylphenyl)-1-methyl-1<i>H</i>-benzo[<i>d</i>]imidazol-3-ium Iodide
Bibliographic record
Abstract
[937807-73-3] C17H19IN2 (MW 378.25) InChI = 1S/C17H19N2.HI/c1-12-9-13(2)17(14(3)10-12)19-11-18(4)15-7-5-6-8-16(15)19;/h5-11H,1-4H3;1H/q+1;/p-1 InChIKey = GZUMUMKCXFZBLQ-UHFFFAOYSA-M (N-heterocyclic carbene, umpolung, homoenolate, organocatalysis) Physical Data: mp 266–269 °C. Solubility: sol DCM, chloroform; insol ether, alkanes. Form Supplied in: colorless to off-white solid. Analysis of Reagent Purity: IR (film) 3018.1, 2947.8, 1610.2, 1560.3, 1260.7, 753.8, 731.9 cm−1; 1H NMR (400 MHz, CDCl3) δ 10.75 (s, 1H), 7.90 (d, J = 8.2 Hz, 1H), 7.72 (t, J = 7.6 Hz, 1H); 7.62 (t, J = 7.6,1H), 7.23 (t, J = 8.2 Hz, 1H), 7.06 (s, 2H), 4.54 (s, 3H), 2.37 (s, 3H), 2.02 (s, 6H). Preparative Methods: the original synthesis is a five-step procedure utilizing two consecutive Buchwald–Hartwig amination coupling reactions (eq 1).1 (1) An alternate synthesis was reported, which is shorter and relies upon a copper-catalyzed amination reaction (eq 2).2 (2)
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot 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.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.005 |
| Meta-epidemiology (narrow) | 0.002 | 0.002 |
| Meta-epidemiology (broad) | 0.003 | 0.002 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.002 | 0.001 |
| Research integrity | 0.002 | 0.001 |
| Insufficient payload (model declined to judge) | 0.018 | 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; both teacher heads agree on what is shown here.
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".