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901723

Sigma-Aldrich

Methyl 2-(9-bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrido[1,2,3-de]quinoxalin-5-yl)acetate

≥90%

Sinónimos:

Aryl halide chemistry informer library compound X1

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About This Item

Fórmula empírica (notación de Hill):
C14H13BrN2O4
Número de CAS:
150533-87-2
Peso molecular:
353.17
Número MDL:
MFCD00920757
Código UNSPSC:
12352101
NACRES:
NA.22

Ensayo

≥90%

Formulario

solid

grupo funcional

bromo
ester

cadena SMILES

Brc1cc2c3c(c1)CCC(N3C(=O)C(=O)N2)CC(=O)OC

Clave InChI

DJBJHCWNSQGQQA-UHFFFAOYSA-N

Categorías relacionadas

Aplicación

This product is Informer compound X1 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.

Precaución

Not fully tested

Otras notas

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

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Código de clase de almacenamiento

11 - Combustible Solids

Clase de riesgo para el agua (WGK)

WGK 3

Punto de inflamabilidad (°F)

Not applicable

Punto de inflamabilidad (°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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