Tetrakis(acetonitrile)copper(I) tetrafluoroborate

Tetrakis(acetonitrile)copper(I) tetrafluoroborate
Identifiers
CAS Number	15418-29-8;
3D model (JSmol)	Interactive image;
ChemSpider	9165868;
EC Number	672-614-2;
PubChem CID	10990673;
CompTox Dashboard (EPA)	DTXSID80451051 ;
	InChI InChI=1S/4C2H3N.BF4.Cu/c41-2-3;2-1(3,4)5;/h41H3;;/q;;;;-1;+1 Key: YZGSKMIIVMCEFE-UHFFFAOYSA-N;
	SMILES [B-](F)(F)(F)F.CC#N.CC#N.CC#N.CC#N.[Cu+];
Properties
Chemical formula	C8H12BCuF4N4
Molar mass	314.56 g·mol−1
Hazards
	GHS labelling:[1]
Pictograms
Signal word	Danger
Hazard statements	H314
Precautionary statements	P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501
Related compounds
Other anions	Tetrakis(acetonitrile)copper(I) hexafluorophosphate
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tetrakis(acetonitrile)copper(I) tetrafluoroborate is a complex compound of copper with acetonitrile as the ligand and tetrafluoroborate as the counterion.

Structure

Tetrakis(acetonitrile)copper(I) tetrafluoroborate forms colorless crystals in the orthorhombic crystal system in the space group Pna21 with the lattice parameters a = 23.882 Å; b = 8.3285 Å; c = 20.338 Å, and twelve unit cells. The compound is isomorphous with tetrakis(acetonitrile)copper(I) perchlorate and tetrakis(acetonitrile)silver(I) perchlorate.^[1]

Preparation

Tetrakis(acetonitrile)copper(I) tetrafluoroborate can be prepared starting from nitrosyl tetrafluoroborate according to the following equation:

Cu + NOBF₄ + 4 CH₃CN → [Cu(CH₃CN)₄]BF₄ + NO

The conversion appears to occur in two stages, initially producing a green-blue copper(II) complex. This complex is reduced to the colorless copper(I) complex by further treatment with metallic copper.^[2]

Reactions

Tetrakis(acetonitrile)copper(I) tetrafluoroborate reacts with methoxyisobutyl isonitrile to produce tetrakis(methoxyisobutylisonitrile)copper(I) tetrafluoroborate:^[3]

[Cu(CH₃CN)₄]BF₄ + 4 CH₃O(CH₃)₂CCH₂NC → [Cu(CH₃O(CH₃)₂CCH₂NC)₄]BF₄ + 4 CH₃CN

[Cu(CH₃O(CH₃)₂CCH₂NC)₄]BF₄ is used to produce technetium(^99mTc)-sestamibi, which is of commercial value.^[4]

References

^ P. G. Jones, O. Crespo (1998-01-15), "Tetrakis(acetonitrile- N )copper(I) Tetrafluoroborate", Acta Crystallographica Section C Crystal Structure Communications, vol. 54, no. 1, pp. 18–20, Bibcode:1998AcCrC..54...18J, doi:10.1107/S0108270197013322
^ B. J. Hathaway, D. G. Holah, J. D. Postlethwaite (1961), "The preparation and properties of some tetrakis(methylcyanide)copper(I) complexes", Journal of the Chemical Society (Resumed), p. 3215, doi:10.1039/jr9610003215{{citation}}: CS1 maint: multiple names: authors list (link)
^ Te-Wei Lee, Chang-Shinn Su, Gann Ting (February 1996), "Synthesis, reactivity and 99mTc labelling of 2-alkoxyisobutylisonitrile", Applied Radiation and Isotopes, vol. 47, no. 2, pp. 207–210, doi:10.1016/0969-8043(95)00249-9{{citation}}: CS1 maint: multiple names: authors list (link)
^ M. E. Wilson, J. C. Hung, R. J. Gibbons (July 1993), "An alternative method for rapid preparation of 99Tcm-sestamibi", Nuclear Medicine Communications, vol. 14, no. 1, pp. 544–549, doi:10.1097/00006231-199307000-00005{{citation}}: CS1 maint: multiple names: authors list (link)

[1] P. G. Jones, O. Crespo (1998-01-15), "Tetrakis(acetonitrile- N )copper(I) Tetrafluoroborate", Acta Crystallographica Section C Crystal Structure Communications, vol. 54, no. 1, pp. 18–20, Bibcode:1998AcCrC..54...18J, doi:10.1107/S0108270197013322

[2] B. J. Hathaway, D. G. Holah, J. D. Postlethwaite (1961), "The preparation and properties of some tetrakis(methylcyanide)copper(I) complexes", Journal of the Chemical Society (Resumed), p. 3215, doi:10.1039/jr9610003215{{citation}}: CS1 maint: multiple names: authors list (link)

[3] Te-Wei Lee, Chang-Shinn Su, Gann Ting (February 1996), "Synthesis, reactivity and 99mTc labelling of 2-alkoxyisobutylisonitrile", Applied Radiation and Isotopes, vol. 47, no. 2, pp. 207–210, doi:10.1016/0969-8043(95)00249-9{{citation}}: CS1 maint: multiple names: authors list (link)

[4] M. E. Wilson, J. C. Hung, R. J. Gibbons (July 1993), "An alternative method for rapid preparation of 99Tcm-sestamibi", Nuclear Medicine Communications, vol. 14, no. 1, pp. 544–549, doi:10.1097/00006231-199307000-00005{{citation}}: CS1 maint: multiple names: authors list (link)

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