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2,3‐Bis[( <i>R</i> )‐(1,1‐dimethylethyl)methylphosphino]‐Quinoxaline

2025· other· en· W4406027799 on OpenAlexaff
H. Lebel, José A. Carmona, Valentı́n Hornillos

Bibliographic record

VenueEncyclopedia of Reagents for Organic Synthesis · 2025
Typeother
Languageen
FieldChemistry
TopicSynthesis and Biological Evaluation
Canadian institutionsUniversité de Montréal
Fundersnot available
KeywordsQuinoxalineChemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract image [ 866081‐62‐1 ] C 18 H 28 N 2 P 2 (MW 334.38) InChI = 1S/C18H28N2P2/c1‐17(2,3)21(7)15‐16(22(8)18(4,5)6)20‐14‐12‐10‐9‐11‐13(14)19‐15/h9‐12H,1‐8H3/t21‐,22‐/m0/s1 InChIKey = DRZBLHZZDMCPGX‐VXKWHMMOSA‐N (reagent may be used as a chiral ligand for rhodium, palladium, copper, and silver complexes to perform enantioselective reductions, conjugate additions, and allylic alkylations) Alternate Name: QuinoxP*. Physical Data: mp 102–103°C; [α] D −54.3° ( c 1.00, CHCl 3 ); 1 H NMR (395.75 MHz, CDCl 3 ) δ 1.00–1.03 (m, 18 H ), 1.42–1.44 (m, 6 H ), 7.70–7.74 (m, 2 H ), 8.08–8.12 (m, 2 H ); 13 C NMR (99.45 MHz, CDCl 3 ) δ 4.77 (t, J = 4.1 Hz), 27.59 (t, J = 7.4 Hz), 31.90 (t, J = 7.4 Hz), 129.50, 129.60, 141.63, 165.12 (dd, J = 5.7, 2.4 Hz); 31 P NMR (202.35 MHz, CDCl 3 ) δ−17.7 (s); IR (KBr) 2950, 1470, 780 cm −1 ; HRMS (FAB) calcd. for C 18 H 29 N 2 P 2 (M + + H); 335.1809; found: 335.1826. Anal. calcd. for C 18 H 28 N 2 P 2 : C, 64.66; H, 8.44. Found: C, 64.57; H, 8.29. 1 Solubility: sol toluene, ether, THF, dichloromethane, hexane. Form Supplied in: orange solid; commercially available. Preparative Methods: a solution of n ‐BuLi (1.25 mL of 1.60 M hexane solution, 2.0 mmol) was added dropwise to a stirred solution of t ‐butylmethylphosphine–borane (236 mg, 2.0 mmol) in THF (4 mL) at −78 °C under nitrogen. After 15 min, a solution of 2,3‐dichloroquinoxaline (133 mg, 0.67 mmol) in THF (4 mL) was added in one portion with vigorous stirring and the mixture was warmed to rt during 1 h. After stirring for additional 3 h, tetramethylethylenediamine (1 mL) was added and stirring was continued for 2 h. The reaction was quenched with 1 M HCl and the mixture was extracted with hexane. The combined extracts were washed with 1 M HCl and brine, and dried over Na 2 SO 4 . The solvent was removed in vacuum and the residue was purified by chromatography on silica gel (hexane/EtOAc = 30/1) to give the desired product (179 mg, 8%) as an orange solid, which was further purified by recrystallization from hot MeOH (1.7 mL) to give orange cubes. 1 Handling, Storage, and Precautions : stable to air and moisture for more than 8 months.

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 imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Other · Consensus signal: none
Teacher disagreement score0.020
Threshold uncertainty score0.069

Distilled classifier scores by category (both heads)

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 science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0200.005

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 head0.013
GPT teacher head0.260
Teacher spread0.247 · 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 source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
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
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