CAS 64443-05-6 Tetrakis(acetonitrile)copper(I) hexafluorophosphate

Synonyms

Acetonitrile;copper(1+);hexafluorophosphate

IUPAC Name

acetonitrile;copper(1+);hexafluorophosphate;

Molecular Weight

372.72

Molecular Formula

C8H12CuF6N4P

Canonical SMILES

CC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.[Cu+]

InChI

InChI=1S/4C2H3N.Cu.F6P/c4*1-2-3;1-7(2,3,4,5)6/h4*1H3;/q;+1;-1

InChI Key

GNQXUMGHBSAQBV-UHFFFAOYSA-N

Melting Point

160 °C

Purity

97%

Appearance

Solid

Complexity

Covalently-Bonded Unit Count

Exact Mass

371.999974

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

371.999974

Rotatable Bond Count

Topological Polar Surface Area

95.2 Å²

Application

Tetrakis(acetonitrile)copper(I) hexafluorophosphate serves a versatile role as both a catalyst and a copper precursor in various chemical reactions and syntheses. It is instrumental in catalyzing the synthesis of triazolo[1,2-a]indazole-1,3,8-trione and 2H-indazolo[2,1-b]phthalazine-trione derivatives, using aryl aldehydes, dimedone, and urazole or phthalhydrazide. As a copper precursor, it's employed in forming Cu2S/CdS nanorod junctions through cationic exchange and in the synthesis of monometallic copper macrocyclic biquinazoline ligand [Cu(Mabiq)]. It aids in the preparation of the luminescent cuprous complex [Cu(2-iQBO)(POP)]PF6 and [Cu(NHC)2]PF6 complexes, the latter useful in the hydrosilylation of carbonyl compounds. Furthermore, it acts as a valuable catalyst for the Ullmann synthesis and the catalytic asymmetric [2,3]-sigmatropic rearrangement of sulfur ylides, and it serves as a precatalyst for enantioselective N-H insertion reactions involving diazoesters and anilines.

February 3, 2025

Exceptional Catalysis with Alfa Chemistry's Tetrakis(acetonitrile)copper(I) Hexafluorophosphate

Using Tetrakis(acetonitrile)copper(I) hexafluorophosphate as a catalyst greatly enhanced the synthesis of triazolo derivatives and facilitated cationic exchange in Cu2S/CdS junctions. Its versatility in research applications is truly impressive.