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Merck
CN

929298

Sigma-Aldrich

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:
MFCD34704605
UNSPSC Code:
12352005
NACRES:
NA.21

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Product Name

ItOct HCl, ≥95.0%

Quality Level

100

Assay

≥95.0%

form

powder

parameter

moisture stable

SMILES string

CC(C)(CC(C)(C)C)N1C=[N+](C(C)(CC(C)(C)C)C)C=C1.[Cl-]

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

Related Categories

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 Code

11 - Combustible Solids

WGK

WGK 3

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000178707
0000199463
0000199467
0000178707
0000199467

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