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901745

Sigma-Aldrich

5-Bromo-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide

≥90%

Sinonimo/i:

Aryl halide chemistry informer library compound X10

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About This Item

Formula empirica (notazione di Hill):
C16H11BrFN3O2
Numero CAS:
410544-56-8
Peso molecolare:
376.18
Numero MDL:
MFCD20270598
Codice UNSPSC:
12352111
NACRES:
NA.22

Saggio

≥90%

Stato

solid

Gruppo funzionale

amide
bromo
fluoro

Stringa SMILE

Fc1ccc(cc1)CNC(=O)c2nc(c3c(nccc3)c2O)Br

InChI

VRVGOUHPADQNHC-UHFFFAOYSA-N

Applicazioni

This product is Informer compound X10 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

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

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901779

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901778

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901744

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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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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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