1319127-05-3

Basic information

• Product Name: Cu₂(C₆H₅C₃NO(O)CHSC₂H₅)2(OSO₂CF₃)2
• CAS NO: 1319127-05-3
• Molecular Weight: 891.814
• Mol File: 1319127-05-3.mol

Chemical Properties

• CAS DataBase Reference: Cu₂(C₆H₅C₃NO(O)CHSC₂H₅)2(OSO₂CF₃)2(CAS DataBase Reference)
• NIST Chemistry Reference: Cu₂(C₆H₅C₃NO(O)CHSC₂H₅)2(OSO₂CF₃)2(1319127-05-3)
• EPA Substance Registry System: Cu₂(C₆H₅C₃NO(O)CHSC₂H₅)2(OSO₂CF₃)2(1319127-05-3)

Safety Data

• Hazardous Substances Data: 1319127-05-3(Hazardous Substances Data)

Upstream product

• 121242-77-1 C₆H₅C₃NO(O)CHSC₂H₅ 

Downstream Products

• 1319127-09-7 Cu(C₆H₅C₃NO(O)CHSC₂H₅)(OSO₂CF₃) 
• 1319127-09-7 Cu(C₆H₅C₃NO(O)CHSC₂H₅)(OSO₂CF₃) 

Relevant articles and documents

Oxazolone copper(I) complexes inspired by the methanobactin active site

Two oxazolone-derived potential ligands with enethioether substituents have been synthesized that differ by the terminal thioether moiety (S-Et in L 1, S-C6H4(OMe)-2 in L2). Both L 1 and L2 behave as bidentate {NS} chelate ligands to form stable complexes with copper(I) triflate that crystallize as dimeric complexes [L2Cu2(OTf)2] (4 and 5) featuring a central {Cu2S2} diamond core with distinctly different Cu-S bonds. L1 as well as 4 and 5 have been characterized by single crystal X-ray diffraction. NMR spectroscopy including 1H and 19F DOSY experiments reveals that 4 and 5 dissociate into monomeric species [LCu(OTf)] (4′ and 5′) in CDCl3 solutions. 4′ and 5′ retain the {NS} binding motif of the oxazolone-derived ligands, but are in slow equilibrium with their {OS} isomers 4″ and 5″ that result from E/Z isomerization of the exocyclic enethioether double bond.