929298
ItOct HCl
≥95.0%, powder
Synonym(s):
1,3-Bis(2,4,4-trimethylpentan-2-yl)-1H-imidazol-3-ium chloride
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About This Item
Empirical Formula (Hill Notation):
C19H37ClN2
Molecular Weight:
328.96
MDL number:
UNSPSC Code:
12352005
NACRES:
NA.21
Product Name
ItOct HCl, ≥95.0%
InChI
1S/C19H37N2.ClH/c1-16(2,3)13-18(7,8)20-11-12-21(15-20)19(9,10)14-17(4,5)6;/h11-12,15H,13-14H2,1-10H3;1H/q+1;/p-1
InChI key
USCUVFCUVMJDDA-UHFFFAOYSA-M
SMILES string
CC(C)(CC(C)(C)C)N1C=[N+](C(C)(CC(C)(C)C)C)C=C1.[Cl-]
assay
≥95.0%
form
powder
parameter
moisture stable
Quality Level
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Application
ItOct HCl is an N-alkyl NHC ligand with demonstrated uses in the following reactions. Au-catalyzed hydration, Cu-catalyzed hydroboration, Ag-catalyzed hydroboration, Cu-catalyzed C–O coupling and Pd-catalyzed C–C and C–N couplings. This ligand features significantly higher steric volume compared with ItBu (659983) while maintaining the σ-donation and σ-acceptance inherent to N-alkyl NHC ligands.
Storage Class
11 - Combustible Solids
wgk
WGK 3
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