704911
N-Benzyl-2-bromo-N-phenylbutanamide
97%
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About This Item
Empirical Formula (Hill Notation):
C17H18BrNO
CAS Number:
Molecular Weight:
332.23
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
assay
97%
form
solid
mp
44-50 °C
SMILES string
CCC(Br)C(=O)N(Cc1ccccc1)c2ccccc2
InChI
1S/C17H18BrNO/c1-2-16(18)17(20)19(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3
InChI key
DVAAHBQCAZCHOP-UHFFFAOYSA-N
Application
Used in Ni-pybox catalyzed asymmetric Negishi couplings.
signalword
Warning
hcodes
Hazard Classifications
Aquatic Acute 1 - Aquatic Chronic 1 - Skin Irrit. 2
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
>230.0 °F
flash_point_c
> 110 °C
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Christian Fischer et al.
Journal of the American Chemical Society, 127(13), 4594-4595 (2005-03-31)
A Ni/Pybox catalyst achieves the asymmetric cross-coupling of secondary alpha-bromo amides with organozinc reagents. The process tolerates a variety of functional groups and affords the desired product in good yield and in high enantiomeric excess.