659983

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
• 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

Properties

• 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

Description

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.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves