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Record W4409187672 · doi:10.1002/047084289x.rn02618

5‐Chloro‐ <i>N</i> ‐(di‐ <i>tert</i> ‐butylphosphaneyl)‐ <i>N</i> ‐methylpyrazin‐2‐amine

2025· other· en· W4409187672 on OpenAlexaff
Eric Neufeld, Fabien Gagosz

Bibliographic record

VenueEncyclopedia of Reagents for Organic Synthesis · 2025
Typeother
Languageen
FieldChemistry
TopicOrganophosphorus compounds synthesis
Canadian institutionsUniversity of Ottawa
Fundersnot available
KeywordsAmine gas treatingMedicinal chemistryChemistryOrganic chemistry

Abstract

fetched live from OpenAlex

image [2981401‐76‐5] C 13 H 23 ClN 3 P (MW 287.77) InChI = 1S/C13H23ClN3P/c1‐12(2,3)18(13(4,5)6)17(7)11‐9‐15‐10(14)8‐16‐11/h8‐9H,1‐7H3 InChIKey = WNSRMVGRQQVGJQ‐UHFFFAOYSA‐N (ligand for gold‐catalyzed cross‐coupling reactions 1 ) Alternative Name(s): ClKarPhos. Solubility: soluble in CHCl 3 , DCM, DCE, Et 2 O, THF. Form Supplied in: light orange solid. Analysis of Reagent Purity: 1 H NMR (300 MHz, CDCl3) δ (ppm) 8.89 (dd, J = 4.5, 1.5 Hz, 1 H ), 8.05 (dd, J = 1.5, 0.7 Hz, 1 H ), 3.24 (s, 3 H ), 1.25 (d, J = 12.8 Hz, 18 H ). 13 C NMR (75 MHz, CDCl3) δ (ppm) 158.1 (d, J = 24.7 Hz), 139.9, 136.8 (d, J = 2.7 Hz), 134.6 (d, J = 36.9 Hz), 37.2 (d, J = 7.4 Hz), 36.2 (d, J = 27.8 Hz), 29.8 (d, J = 16.7 Hz). 31 P NMR (122 MHz, CDCl3) δ (ppm) 85.0 HRMS (ESI) Calculated for C 13 H 24 ClN 3 P + [M+H] + : 288.1391; found: m/z 288.1378. Preparative Methods 1 : a flame‐dried Schlenk flask was charged with the 5‐chloro‐ N ‐methylpyrazin‐2‐amine (65 mg, 0.45 mmol) and dry THF [0.2 M] under a nitrogen atmosphere. The resulting solution was cooled down to 0 °C before a solution of n ‐BuLi in hexane (0.18 mL, 0.45 mmol) was added dropwise. The reaction mixture was allowed to reach room temperature and was then stirred for 4 hours before t Bu 2 PCl (86 μL, 91 mg, 0.45 mmol) was added dropwise. At the end of the addition, the temperature was raised to 60 °C and the reaction mixture was stirred for 3 days (eq ). The solvent was then evaporated, and the crude residue was purified by flash column chromatography using a 10:1 hexanes:ethyl acetate mixture as the eluent. image Purification: purification by flash column chromatography in hexanes:ethyl acetate = 10:1. Handling, Storage, and Precautions: bench stable, long‐term storage under nitrogen atmosphere and refrigerate to prevent degradation.

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)0.003
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: Not applicable
GenreCandidate signal: Other · Consensus signal: Other
Teacher disagreement score0.341
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.003
Meta-epidemiology (narrow)0.0020.002
Meta-epidemiology (broad)0.0030.001
Bibliometrics0.0010.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0030.001
Research integrity0.0020.001
Insufficient payload (model declined to judge)0.0620.001

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.

Opus teacher head0.006
GPT teacher head0.220
Teacher spread0.214 · 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; both teacher heads agree on what is shown here.

Study designNot applicable
Domainnot available
GenreOther

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".

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Citations0
Published2025
Admission routes1
Has abstractyes

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