902985
(Bathocuproine)NiBr2
powder or crystals
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About This Item
Empirical Formula (Hill Notation):
C26H20Br2N2Ni
CAS Number:
Molecular Weight:
578.95
MDL number:
UNSPSC Code:
12161600
NACRES:
NA.22
Product Name
(Bathocuproine)NiBr2,
form
powder or crystals
reaction suitability
core: nickel, reaction type: Cross Couplings, reagent type: catalyst
mp
>300 °C
SMILES string
CC1=NC2=C(C=CC(C(C3=CC=CC=C3)=C4)=C2N=C4C)C(C5=CC=CC=C5)=C1.Br[Ni](C)(C)Br
InChI
1S/C26H20N2.2CH3.2BrH.Ni/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;;;;;/h3-16H,1-2H3;2*1H3;2*1H;/q;;;;;+2/p-2
InChI key
DMMFRVQLSPMYOW-UHFFFAOYSA-L
Application
Catalyst for C-alkylation of nitroalkanes with unactivated alkyl iodides
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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Articles
Nickel complexes catalyze various synthetic reactions like oxidative addition, C-H activation, and cross-coupling.
Sina Rezazadeh et al.
Journal of the American Chemical Society, 139(24), 8110-8113 (2017-06-09)
Enabled by nickel catalysis, a mild and general catalytic method for C-alkylation of nitroalkanes with unactivated alkyl iodides is described. Compatible with primary, secondary, and tertiary alkyl iodides; and tolerant of a wide range of functional groups, this method allows