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Record W1965804698 · doi:10.1139/v06-084

Synthesis of a hindered <i>C</i><sub>2</sub>-symmetric hydrazine and diamine by a crisscross cycloaddition of citronellal azine

2006· article· en· W1965804698 on OpenAlexvenueno aff
Barry B. Snider, James F. Grabowski, Roger W. Alder, Bruce M. Foxman, Lin Yang

Bibliographic record

VenueCanadian Journal of Chemistry · 2006
Typearticle
Languageen
FieldChemistry
TopicClick Chemistry and Applications
Canadian institutionsnot available
FundersNational Institutes of Health
KeywordsChemistryCycloadditionAzineTertiary amineMedicinal chemistryAgostic interactionAmine gas treatingStereocenterEnantioselective synthesisOrganic chemistryCatalysisStereochemistry

Abstract

fetched live from OpenAlex

Crisscross cycloaddition of citronellal azine (6) with 2 equiv. of TFA and powdered 3 Å molecular sieves in CH 2 Cl 2 at reflux for 22 h afforded 37% of the desired C 2 -symmetric hydrazine 7 and 5%–10% of diastereomer 8 in which one of the 6–5 ring fusions is cis. Methylation of the hydrazine of 7 and reduction of the resulting salt (9) with Li in NH 3 cleaved the N—N bond to give secondary tertiary amine 10 in 97% yield. Eschweiler–Clarke methylation afforded the C 2 -symmetric bis tertiary amine 11 in 69% yield. Racemic products were obtained in initial attempts at asymmetric catalysis using 7 or 11 as asymmetric bases, using bistertiary amine 11 as a ligand analogous to sparteine for alkyllithiums, or using the lithium amide from secondary tertiary amine 10 as an asymmetric base. Apparently, the proton is buried in the core of 11, leaving a hydrophobic surface; the free counterion is not an asymmetric catalyst. Diamine 11 may be too hindered to complex to s-BuLi. Tertiary amine 11 (pK a1 = 24.7) is more basic than DBU (pK a = 24.3) in CH 3 CN, in good agreement with theory.Key words: crisscross cycloaddition, azine, dipolar cycloaddition, calculation of pK a .

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)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
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 score0.011
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

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)0.0000.000

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 head0.004
GPT teacher head0.181
Teacher spread0.177 · 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 teacher head, not a consensus.

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

Citations6
Published2006
Admission routes1
Has abstractyes

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