90698-08-1

Basic information

• Product Name: (η-cyclopentadienyl)bis(4-methylphenyl)-N-(1-phenylethyl)thio-4-methylbenzamidatozirconium
• CAS NO: 90698-08-1
• Molecular Weight: 592.96
• Mol File: 90698-08-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (η-cyclopentadienyl)bis(4-methylphenyl)-N-(1-phenylethyl)thio-4-methylbenzamidatozirconium(CAS DataBase Reference)
• NIST Chemistry Reference: (η-cyclopentadienyl)bis(4-methylphenyl)-N-(1-phenylethyl)thio-4-methylbenzamidatozirconium(90698-08-1)
• EPA Substance Registry System: (η-cyclopentadienyl)bis(4-methylphenyl)-N-(1-phenylethyl)thio-4-methylbenzamidatozirconium(90698-08-1)

Safety Data

• Hazardous Substances Data: 90698-08-1(Hazardous Substances Data)

Upstream product

• 80327-18-0 (η-cyclopentadienyl)tris-p-tolylzirconium(IV) 
• 24277-44-9 (1-isothiocyanato-ethyl)-benzene 

Relevant articles and documents

CHIRALITAETSEIGENSCHAFTEN VON MONO(η-CYCLOPENTADIENYL)THIOBENZAMIDATOZIRCONIUM(IV)-KOMPLEXEN

The (η-cyclopentadienyl)diarylthiobenzamidatozirconium(IV) complexes (CpZrAr2(NRCAr=S) 7 and 8) are formed upon reaction of (η-cyclopentadienyl)tris-p-tolyzirconium(IV) (4) with benzyl- or 1-phenylethyl-isothiocyanate, respectively.It is shown by NMR analysis that these compounds have achiral mplecular geometries, but the reaction product of 4 with two molar equivalents of benzylisothiocyanate is chiral.Presumably different coordination modes of the substituted thiobenzamidato ligands cause the metal chirality observed for this complex.A rapid intramolecular degenerating rearrangement (ΔG(excit.)50 deg C 16 kcal mol-1) proceeding with loss of the metal chirality is shown by dynamic NMR spectroscopy.