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659983

Sigma-Aldrich

1,3-Di-tert-butylimidazolium tetrafluoroborate

97%

Synonym(s):

1,3-Bis(tert-butyl)-imidazol-2-ylidinium tetrafluoroborate, N,N′-Bis(tert-butyl)imidazolium tetrafluoroborate

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About This Item

Empirical Formula (Hill Notation):
C11H21N2 · BF4
CAS Number:
263163-17-3
Molecular Weight:
268.10
MDL number:
MFCD07784425
UNSPSC Code:
12352005
PubChem Substance ID:
24884170
NACRES:
NA.22

Quality Level

100

Assay

97%

form

solid

reaction suitability

reagent type: catalyst

mp

157-198 °C

SMILES string

F[B-](F)(F)F.CC(C)(C)n1cc[n+](c1)C(C)(C)C

InChI

1S/C11H21N2.BF4/c1-10(2,3)12-7-8-13(9-12)11(4,5)6;2-1(3,4)5/h7-9H,1-6H3;/q+1;-1

InChI key

OOFLHRYFPBGTPQ-UHFFFAOYSA-N

General description

1,3-Di-tert-butylimidazolium tetrafluoroborate is an N-heterocyclic carbene (NHC) compound that can be prepared by reacting paraformaldehyde with tert-butyl amine and hydrogen tetrafluoroborate (35% in water).

Application

1,3-Di-tert-butylimidazolium tetrafluoroborate may be used in the preparation of di-μ-iodobis(1,3-di-tert-butylimidazolin-2-ylidene)diiododipalladium(II), a palladium(II)-NHC complex, which can catalyze Mizoroki-Heck reaction.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

PRTR

Class I Designated Chemical Substances

JAN Code

659983-5G:4548173226170
659983-1G:4548173226163
659983-VAR:
659983-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV0774
MKCV3003
MKCQ9475
MKCH3066
MKBZ5058V

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Synthesis, structure and catalytic application of palladium (II) complexes bearing N-heterocyclic carbenes and phosphines.
Herrmann WA, et al.
Journal of Organometallic Chemistry, 617, 616-628 (2001)

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