61861-52-7

Basic information

• Product Name: 5(4H)-Oxazolone, 4-[(ethylthio)methylene]-2-phenyl-, (Z)-
• CAS NO: 61861-52-7
• Molecular Formula: C12H11NO2S
• Molecular Weight: 233.291
• Mol File: 61861-52-7.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 5(4H)-Oxazolone, 4-[(ethylthio)methylene]-2-phenyl-, (Z)-(CAS DataBase Reference)
• NIST Chemistry Reference: 5(4H)-Oxazolone, 4-[(ethylthio)methylene]-2-phenyl-, (Z)-(61861-52-7)
• EPA Substance Registry System: 5(4H)-Oxazolone, 4-[(ethylthio)methylene]-2-phenyl-, (Z)-(61861-52-7)

Safety Data

• Hazardous Substances Data: 61861-52-7(Hazardous Substances Data)

Upstream product

• 15646-46-5 4-ethoxymethylene-2-phenyl-2-oxazolin-5-one 
• 75-08-1 ethanethiol 
• 182930-13-8 4-Aminomethylen-5-oxo-2-phenyl-4,5-dihydrooxazole 

Downstream Products

• 61861-52-7 4-((E)-ethylmercapto-methylene)-2-phenyl-4H-oxazol-5-one 

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.