901729
Ethyl 4-(3-bromo-8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate
Synonym(s):
Aryl halide chemistry informer library compound X6
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About This Item
Empirical Formula (Hill Notation):
C22H22BrClN2O2
CAS Number:
Molecular Weight:
461.78
UNSPSC Code:
12352101
NACRES:
NA.22
MDL number:
Form:
powder
form
powder
mp
355 °C
functional group
bromo, chloro
SMILES string
Brc1cnc2c(c1)CCc3c(ccc(c3)Cl)C2=C4CCN(CC4)C(=O)OCC
InChI key
KEMBMHKAPVBZHC-UHFFFAOYSA-N
Application
This product is Informer compound X6 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 reactions′ successes and shortcomings among different methods and various research teams. It may also be used to facilitate deeper method development for performance or utility.
Other Notes
Disclaimer
Not fully tested
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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