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901729

Sigma-Aldrich

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
MDL number:
UNSPSC Code:
12352101
NACRES:
NA.22
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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.

Caution

Not fully tested

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


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