901723
Methyl 2-(9-bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrido[1,2,3-de]quinoxalin-5-yl)acetate
≥90%
Synonym(s):
Aryl halide chemistry informer library compound X1
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About This Item
Empirical Formula (Hill Notation):
C14H13BrN2O4
CAS Number:
Molecular Weight:
353.17
MDL number:
UNSPSC Code:
12352101
NACRES:
NA.22
Assay:
≥90%
Form:
solid
assay
≥90%
form
solid
functional group
bromo, ester
SMILES string
Brc1cc2c3c(c1)CCC(N3C(=O)C(=O)N2)CC(=O)OC
InChI key
DJBJHCWNSQGQQA-UHFFFAOYSA-N
Application
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.
Disclaimer
Not fully tested
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 901723-100MG | 04061835496389 |