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Record W4243790714 · doi:10.1139/v07-013

Triazene derivatives of (1,<i>x</i>)-diazacycloalkanes. Part VIII. Synthesis and characterization of a series of 1,4-di[2-aryl-1-diazenyl]-2-methylpiperazines<sup>1</sup>

2007· article· en· W4243790714 on OpenAlexfundvenueno aff
Naomi Hunter, Reid Tingley, Brad Peori, Keith Vaughan

Bibliographic record

VenueCanadian Journal of Chemistry · 2007
Typearticle
Languageen
FieldChemistry
TopicChemical Reactions and Mechanisms
Canadian institutionsnot available
FundersNatural Sciences and Engineering Research Council of CanadaDalhousie University
KeywordsChemistryPiperazineHeteronuclear single quantum coherence spectroscopyMethyleneRing (chemistry)DEPTArylProton NMRProtonSpectroscopyNuclear magnetic resonance spectroscopyCarbon-13 NMRNMR spectra databaseTwo-dimensional nuclear magnetic resonance spectroscopyStereochemistryCrystallographySpectral lineMedicinal chemistryOrganic chemistryAlkyl

Abstract

fetched live from OpenAlex

A series of 1,4-di-[2-aryl-1-diazenyl]-2-methylpiperazines (4a–n) have been synthesized by the reaction of 2-methylpiperazine with 2 equiv. of the appropriate diazonium salt. The products have been characterized by IR and NMR spectroscopy, and the molecular composition has been verified by HR-EIMS, with accurate mass measurement of the molecular ion. The presence of a chiral centre at C2 of the piperazine ring in the bistriazene 4 creates a multitude of diastereotopic protons in the methylene groups of the piperazine ring, as evidenced by the complexity of the NMR spectra, which nevertheless can be fully assigned in some cases, such as the tolyl- (4h) and phenyl- (4j) derivatives. These two compounds also show a discrimination between the two N-arydiazenyl groups, as evidenced by the doubling of several aromatic-carbon signals in the 13C NMR spectra. The assignment of the proton and carbon signals in 4h and 4j has been aided by the use of 2D NMR spectroscopy. A DEPT spectrum of 4j clearly discriminates the methylene carbons and also indicates the methine carbons of the piperazine ring. COSY spectra provide clear information about the interactions between diastereotopic protons; when these results are combined with the results of HSQC spectroscopy, the proton and carbon signals can be fully correlated, leading to an unequivocal assignment of the proton and carbon atoms of the piperazine ring. The HSQC spectrum of 4j also gives a complete correlation of the aromatic-proton and -carbon signals. These results compare favorably with the previously reported assignments of proton and carbon signals for triazenes of type 1 and bistriazenes of type 3.Key words: triazene, bistriazene, piperazine, 2-methylpiperazine, diastereotopic protons, diazonium coupling, 2D NMR, COSY, DEPT, HSQC.

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: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.007

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 science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.001

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 head0.009
GPT teacher head0.206
Teacher spread0.197 · 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 designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations4
Published2007
Admission routes2
Has abstractyes

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