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929514

Sigma-Aldrich

ItHept HCl

≥95%

Synonym(s):

1,3-Bis(3-ethylpentan-3-yl)-1H-imidazol-3-ium chloride

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About This Item

Empirical Formula (Hill Notation):
C17H33ClN2
Molecular Weight:
300.91

Quality Level

Assay

≥95%

form

powder

Inchi Code

1S/C17H33N2.ClH/c1-7-16(8-2,9-3)18-13-14-19(15-18)17(10-4,11-5)12-6;/h13-15H,7-12H2,1-6H3;1H/q+1;/p-1

InChI key

RQFXMBPPYZXOIW-UHFFFAOYSA-M

SMILES string

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

Related Categories

Application

ItHept 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

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Certificates of Analysis (COA)

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