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901725

Sigma-Aldrich

1-(Tert-butyl) 2-methyl (2S,4R)-4-((4-bromo-7-fluoroisoindoline-2-carbonyl)oxy)pyrrolidine-1,2-dicarboxylate

Sinonimo/i:

Aryl halide chemistry informer library compound X4

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About This Item

Formula empirica (notazione di Hill):
C20H24BrFN2O6
Numero CAS:
2021256-19-7
Peso molecolare:
487.32
Codice UNSPSC:
12352101
NACRES:
NA.22

Forma fisica

powder or crystals

Punto di fusione

157.61 °C

Applicazioni

This product is Informer compound X4 of the Aryl halide chemistry informer library developed by chemists at Merck & Co. Inc., Kenilworth, NJ, U.S., which contains 18 drug-like molecules representative of those encountered in complex synthesis. By screening a new reaction against the informer library, chemists can directly compare and analyse a reaction′s successes and shortcomings among different methods and various research teams. It may also be used to facilitate deeper method development for performance or utility.

Avvertenza

Not fully tested

Altre note

Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods, Chem. Sci., 2016, 7, 2604-2613.

Synthesis of Complex Druglike Molecules by the Use of Highly Functionalized Bench-Stable Organozinc Reagents

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Codice della classe di stoccaggio

11 - Combustible Solids

Classe di pericolosità dell'acqua (WGK)

WGK 3

Punto d’infiammabilità (°F)

Not applicable

Punto d’infiammabilità (°C)

Not applicable

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Thomas J Greshock et al.
Angewandte Chemie (International ed. in English), 55(44), 13714-13718 (2016-10-22)
The reactivity of a representative set of 17 organozinc pivalates with 18 polyfunctional druglike electrophiles (informers) in Negishi cross-coupling reactions was evaluated by high-throughput experimentation protocols. The high-fidelity scaleup of successful reactions in parallel enabled the isolation of sufficient material
Peter S Kutchukian et al.
Chemical science, 7(4), 2604-2613 (2016-04-21)
Major new advances in synthetic chemistry methods are typically reported using simple, non-standardized reaction substrates, and reaction failures are rarely documented. This makes the evaluation and choice of a synthetic method difficult. We report a standardized complex molecule diagnostic approach

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