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Nitrene C–H Bond Insertion Approach to Carbazolones and Indolones. Formal Total Synthesis of (–)-Methyl N-Decarbomethoxychanofruticosinate, (–)-Aspidospermidine and (+)-Kopsihainanine A

2023· preprint· en· W4385224975 on OpenAlex
Mahesh K. Lakshman, Dellamol Sebastian, Padmanava Pradhan, Michelle C. Neary, Alexis M. Piette, Samuel P. Trzebiatowski, Alexander E. K. Henriques, Patrick H. Willoughby

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

fundA Canadian funder is recorded on the work.
no affNo Canadian affiliation: this work is invisible to an affiliation-only frame.
No Canadian affiliation. An affiliation-only frame, the usual design, would never have seen this work. It is one of the works that make the case for inverting the frame.

Bibliographic record

VenueChemRxiv · 2023
Typepreprint
Languageen
FieldChemistry
TopicSynthesis and Catalytic Reactions
Canadian institutionsnot available
FundersDivision of ChemistryYork UniversityCity University of New YorkNational Science Foundation
KeywordsNitreneRegioselectivityChemistryArylCyclohexanoneMoietyAzideStereochemistryMedicinal chemistryCatalysisOrganic chemistry

Abstract

fetched live from OpenAlex

A new, modular platform for access to 1,2,3,9-tetrahydro-4H-carbazol-4-ones (H4-carbazolones) and 3,4-dihydrocyclopenta[b]indol-1(2H)-ones (H2-indolones) is disclosed from readily accessed 2-arylcycloalkane-1,3-diones (6- and 5-membered). These precursors were prepared through a Cu-catalyzed arylation of 1,3-cyclohexanediones with aryl iodides or via a ring-expansion of aryl succinoin derivatives. Activation of a single carbonyl group in the diones, a highly regioselective reaction with unsymmetrical 2-arylcyclohexane-1,3-diones, and subsequent azidation gave 3-azido-2-aryl-cycloalk-2-en-1-ones. The regioselectivity was computationally assessed. Finally, a Rh-catalyzed nitrene/nitrenoid insertion into the ortho-C–H bond of the aryl moiety, gave the H4-carbazolones and H2-indolones, products that are of high synthetic value. One carbazolone synthesized was elaborated to a key intermediate for the formal total synthesis of N-decarbomethoxychanofruticosinate, (–)-aspidospermidine, (+)-kopsihainanine A. With 2-aryl-1,3-cycloheptanedione, prepared from cyclohexanone and benzaldehyde, the azidation reaction was accomplished in a facile manner. However, the Rh-catalyzed reaction led to some unusual observations, with an azirine as a major product. DFT computations were performed in order to understand the differences in reactivities of the 5- and 6-membered -azido enones in comparison to the 7-membered analogue.

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.

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)0.001
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 score0.038
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.001
Research integrity0.0010.001
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 head0.033
GPT teacher head0.257
Teacher spread0.224 · 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