Tetrakis(acetonitrile)palladium(II) tetrafluoroborate

Product Information

Molecular Formula:
C8H12N4Pd.2BF4
Molecular Weight:
444.24
Description
Application Guide for Palladium Catalyzed Cross-Coupling ReactionsReactant involved in:• Reactions where it plays a role as the metal source due to weakly coordinated acetonitrile ligandsPrecursor for:• Synthesis of dendritic SCS-pincer palladium complexes• Palladium complexes of click ligands• Dipalladium catalysts for use in Heck cross-coupling, Suzuki cross-coupling, and aldehyde olefination
Synonyms
Palladium(2+), tetrakis(acetonitrile)-, (SP-4-1)-, tetrafluoroborate(1-) (1:2); Borate(1-), tetrafluoro-, (SP-4-1)-tetrakis(acetonitrile)palladium(2+) (2:1); Borate(1-), tetrafluoro-, tetrakis(acetonitrile)palladium(2+); Palladium(2+), tetrakis(acetonitrile)-, (SP-4-1)-, bis[tetrafluoroborate(1-)]; Palladium(2+), tetrakis(acetonitrile)-, bis[tetrafluoroborate(1-)]; NSC 307191; Tetrakis(acetonitrile)palladium bis(tetrafluoroborate); Tetrakis(acetonitrile)palladium tetrafluoroborate; Tetrakis(acetonitrile)palladium(2+) bis(tetrafluoroborate); Tetrakis(acetonitrile)palladium(2+) bis[tetrafluoroborate(1-)]; Tetrakis(acetonitrile)palladium(2+) tetrafluoroborate
IUPAC Name
acetonitrilepalladium(2+)ditetrafluoroborate
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*1-2-32*2-1(3,4)5/h4*1H3/q2*-1+2
InChI Key
YWMRPVUMBTVUEX-UHFFFAOYSA-N
Melting Point
230°C (dec.)
Purity
≥99%
Appearance
Yellow powder

Safety Information

Hazards
H332

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
14
Rotatable Bond Count
0
Exact Mass
444.01551 g/mol
Monoisotopic Mass
444.01551 g/mol
Topological Polar Surface Area
95.2Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
48.4
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
7
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
KR-20220003875-A Composition for removing palladium compound and method for removing palladium compound 2020-07-02
WO-2021216705-A1 Gpr52 modulators and methods of use 2020-04-22
WO-2021113263-A1 Crf receptor antagonists and methods of use 2019-12-04
WO-2021067670-A1 Process for preparing an activin receptor-like kinase inhibitor 2019-10-02
WO-2021062035-A1 Luminescent materials and methods thereof 2019-09-27
US-2021074930-A1 Synthesis of ft4-based organic semiconducting small molecules by pd-catalyzed direct (hetero)arylation or direct alkenylation 2019-09-06
US-2020392148-A1 Chemosensor and a method of detecting palladium ions 2019-06-12
US-11124522-B2 Chemosensor and a method of detecting palladium ions 2019-06-12
US-2020370189-A1 Pd-comprising electrocatalysts suitable for water splitting 2019-05-21
WO-2020217733-A1 Method for producing vadadustat intermediate 2019-04-26
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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