CAS 34946-82-2|copper(2+) ditriflate|Copper(II) trifluoromethanesulphonate 98%|copper(2+) ion ditrifluoromethanesulfonate|Copper(II) triflate|Copper(II) triflate|copper(2+) ion ditriflate|Trifluorom...

General Information

Structure

Molecular Formula

C₂CuF₆O₆S₂

Molecular Mass

361.6842192

Exact Mass

360.83364654

Charge

InChI

InChI=1S/2CHF3O3S.Cu/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2

InChIKey

SBTSVTLGWRLWOD-UHFFFAOYSA-L

Canonic Smiles

FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[Cu+2]

Isomeric Smiles

S(=O)(=O)([O-])C(F)(F)F.[Cu+2].S(=O)(=O)([O-])C(F)(F)F

Calculated Properties

JChem

Acid pKa

-3.4301212

H Acceptors

H Donor

LogD (pH = 5.5)

-1.2283616

LogD (pH = 7.4)

-1.2283617

Log P

1.1480371

Molar Refractivity

15.8602

Polarizability

7.460577

Polar Surface Area

57.2

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

copper(2+) ditriflate copper(2+) ion ditriflate

Synonyms

Copper(II) trifluoromethanesulphonate 98%Copper(II) triflateCopper(II) triflateTrifluoromethanesulfonic acid copper(II) salt三氟甲烷磺酸铜(II)copper(2+) ion bis(trifluoromethanesulfonate)Copper(II) trifluoromethanesulfonate

IUPAC name

copper(2+) ion ditrifluoromethanesulfonate

Names and Identifiers

Registration numbers

MDL Number

MFCD00077492MFCD00013228

CAS Number

Wikipedia Title

PubChem CID

Chemspider ID

PubChem SID

EC Number

Beilstein Number

Registration numbers

Properties

Physical Property

Product Information

Purity

95%

98%

99% min

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Apollo Scientific

PC2096E

Can produce alkenes at ambient temperatures by catalytic dehydration of alcohols and diols: Helv. Chim. Acta, 70, 607 (1987)

Wikipedia

Copper(II)_triflate

Molecule Details

References

PubChem Literature

From Data Sources

• Mild Lewis acid:

• For a brief feature on uses of the reagent in synthesis, see: Synlett, 1044 (2005).

• Widely used to generate carbenoid species from ɑ-diazo esters and ketones, via in situ reduction to the Cu(I) species: J. Am. Chem. Soc., 95, 3300 (1973). Preferred reagent for intramolecular cyclization of various diazo ketones: J. Org. Chem., 49, 11496 (1984). Also promotes the reaction between diazo esters and imines to give aziridines: J. Chem. Soc., Chem. Commun., 1 (1995).

• Catalyzes syn-selective aldol condensation of (Z)-silyl enol ethers with aldehydes: Chem. Lett., 959 (1997).

• Used catalytically, promotes dehydration of alcohols and diols to alkenes at ambient temperatures: Helv. Chim. Acta, 70, 607 (1987).

• Friedel-Crafts alkylation and acylation reactions of aromatics are also catalyzed: Tetrahedron, 57, 241 (2001).

References

Bioactivity

PubChem BioAssay

Bioactivity