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Record W2768078435 · doi:10.1021/acs.joc.7b02314

Hydroxymethylaniline Photocages for Carboxylic Acids and Alcohols

2017· article· en· W2768078435 on OpenAlexafffund
Đani Škalamera, Vesna Blažek Bregović, Ivana Antol, Cornelia Bohne, Nikola Basarić

Bibliographic record

VenueThe Journal of Organic Chemistry · 2017
Typearticle
Languageen
FieldMaterials Science
TopicPhotochromic and Fluorescence Chemistry
Canadian institutionsUniversity of Victoria
FundersHrvatska Akademija znanosti i umjetnostiNatural Sciences and Engineering Research Council of CanadaHrvatska Zaklada za ZnanostUniversity of Victoria
KeywordsChemistryCarbocationFlash photolysisAqueous solutionAnilineDerivative (finance)Carboxylic acidHeterolysisPhotodissociationMedicinal chemistryPhotochemistryOrganic chemistryCombinatorial chemistryReaction rate constant

Abstract

fetched live from OpenAlex

ortho -, meta - and para -Hydroxymethylaniline methyl ethers 3–5-OM e and acetyl derivatives 3–5-OAc were investigated as potential photocages for alcohols and carboxylic acids, respectively. The measurements of photohydrolysis efficiency showed that the decaging from ortho - and meta -derivatives takes place efficiently in aqueous solution, but not for the para -derivatives. Contrary to previous reports, we show that the meta -derivatives are better photocages for alcohols, whereas ortho -derivatives are better protective groups for carboxylic acids. The observed differences were fully disclosed by mechanistic studies involving fluorescence measurements and laser flash photolysis (LFP). Photoheterolysis for the para -derivatives does not take place, whereas both meta - and ortho -derivatives undergo heterolysis and afford the corresponding carbocations 3-C and 4-C . The ortho -carbocation 4- o -C was detected by LFP in aqueous solution (λ max = 410 nm, τ ≈ 90 μs). Moreover, spectroscopic measurements for the meta -acetyl derivative 3- m -OAC indicated the formation of cation in the excited state. The application of an ortho- aniline derivative as a protective group was demonstrated by synthesizing several derivatives of carboxylic acids. In all cases, the photochemical deprotection was accomplished in high yields (>80%). This mechanistic study fully rationalized the photochemistry of aniline photocages which is important for the design of new photocages and has potential for synthetic, biological, and medicinal applications.

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)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation 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 score0.683

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
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)0.0010.000

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 head0.016
GPT teacher head0.267
Teacher spread0.251 · 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.

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

Citations14
Published2017
Admission routes2
Has abstractyes

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