113110-58-0

Basic information

• Product Name: Tetrakis(pyridine)copper(II) bis(trifluoromethanesulfonate)
• Synonyms: Cu(pyridine)4(OTf)2;Tetrakis(pyridine)copper(II) bis(trifluoromethanesulfonate);Tetrakis(pyridine)copper(II) triflate;Tetrakis(pyridine)copper(II) triflate 95%
• CAS NO: 113110-58-0
• Molecular Formula: C22H20CuF6N4O6S2
• Molecular Weight: 678.0838192
• Mol File: 113110-58-0.mol
• Article Data: 1

Chemical Properties

• Melting Point: 190-194°C
• Appearance: /
• Storage Temp.: ?20°C
• CAS DataBase Reference: Tetrakis(pyridine)copper(II) bis(trifluoromethanesulfonate)(CAS DataBase Reference)
• NIST Chemistry Reference: Tetrakis(pyridine)copper(II) bis(trifluoromethanesulfonate)(113110-58-0)
• EPA Substance Registry System: Tetrakis(pyridine)copper(II) bis(trifluoromethanesulfonate)(113110-58-0)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45
• RIDADR: UN 1759 8 / PGII
• WGK Germany: 3
• Hazardous Substances Data: 113110-58-0(Hazardous Substances Data)

Usage

Uses

Tetrakis(pyridine)copper(II) triflate [Cu(OTf)2(py)4] is a general copper-based catalyst. It is commonly used to catalyze copper-mediated radiofluorination of arenes and heteroarene. It is also employed in C(sp3)-H functionalization/cyclisation of 2-amino-N,N-dialkylbenzamides to synthesize 2,3-disubstituted-4(3H)-quinazolinones.

Upstream product

• 110-86-1 pyridine 
• 34946-82-2 copper(II) bis(trifluoromethanesulfonate) 

Relevant articles and documents

Pyrazine and pyridine complexes of copper(II) trifluoromethanesulfonate. Crystal structure of tetrakis(pyridine)bis(trifluoromethanesulfonato-O)copper(II) and magnetic exchange in (pyrazine)bis(trifluoromethanesulfonato-O)copper(II)

Copper(II) trifluoromethanesulfonate reacts with excess pyridine or pyrazine to yield complexes of compositions Cu(Py)4(CF3SO3)2 and Cu(pyz)4(CF3SO3)2·H 2O. Crystals of Cu(py)4(CF3SO3)2 are orthorhombic, of space group Pbcn, with a = 10.5618 (7) A?, b = 16.287 (1) A?, c = 16.830 (2) A?, Z = 4, and R = Rw = 0.046 for 1130 reflections with I ≥ 2σ(I). The trans-Cu(py)4(CF3SO3)2 molecule has cristallographic C2 symmetry. The coordination about Cu is tetragonally distorted pseudooctahedral with mean Cu-N = 2.035 A? and Cu-O = 2.425 (4) A?. An analogous structure with trans-axially coordinated anions and equatorially bound monodentate pyrazine ligands is proposed for Cu(pyz)4(CF3SO3)2·H 2O. Thermolysis of this latter compound at 87°C yields Cu(pyz)(CF3SO3)2, and spectroscopic studies on this material support a sheet structure in which chains of copper atoms, doubly bridged by bidentate sulfonate groups, are cross-linked by bidentate bridging pyrazine ligands. Magnetic susceptibility studies (100-4.2 K) reveal antiferromagnetic behavior with a maximum in the susceptibility at ～7 K. Exchange coupling is considered to take place primarily via the bridging pyrazine groups; analysis of the magnetic data according to a Heisenberg linear-chain model yields, best fit values of J = -3.78 cm-1 and g = 2.08.