CAS 21797-13-7 Tetrakis(acetonitrile)palladium(II) tetrafluoroborate

Synonyms

Acetonitrile;palladium(2+);ditetrafluoroborate

IUPAC Name

acetonitrile;palladium(2+);ditetrafluoroborate;

Molecular Weight

444.24

Molecular Formula

C8H12B2F8N4Pd

Canonical SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.CC#N.CC#N.[Pd+2]

InChI

InChI=1S/4C2H3N.2BF4.Pd/c4*1-2-3;2*2-1(3,4)5;/h4*1H3;/q;2*-1;+2

InChI Key

YWMRPVUMBTVUEX-UHFFFAOYSA-N

Melting Point

230 °C

Purity

99%

Appearance

Grey powder

Storage

2-8°C

Complexity

48.4

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Exact Mass

444.01551

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

444.01551

Rotatable Bond Count

Topological Polar Surface Area

95.2 Å²

Application

Tetrakis(acetonitrile)palladium(II) tetrafluoroborate serves as a versatile catalyst and precursor in various chemical reactions. As a powerful Lewis acid, it is instrumental in forming α-Diimine-transition metal complexes, which are pivotal in catalyzing the polymerization of olefins. Additionally, it facilitates cross-coupling reactions essential for constructing C-C, C-O, and C-N bonds. The weak coordination of its acetonitrile ligands enhances its role as a metal source, making it valuable in synthesizing dendritic SCS-pincer palladium complexes, palladium complexes with click ligands, and dipalladium catalysts used in Heck and Suzuki cross-couplings, as well as aldehyde olefination. Moreover, it contributes to the creation of complex structures like [Pd(1,2-bis(2'-pyridylethynyl)benzene)2](BF4)2 via the Sonogashira cross-coupling reaction.

February 23, 2025

Essential Catalyst for Complex Cross-Couplings

Tetrakis(acetonitrile)palladium(II) tetrafluoroborate was instrumental in our lab for polymerization of olefins and C-C coupling tasks. Its robust, efficient catalytic behavior significantly enhanced reaction precision and outcomes. Highly recommended for advanced research applications!