257930-00-0

Basic information

• Product Name: ReOCl₃(2-(diethylaminomethyl)-4-methylphenol)(PPh₃)
• CAS NO: 257930-00-0
• Molecular Weight: 764.145
• Mol File: 257930-00-0.mol

Chemical Properties

• CAS DataBase Reference: ReOCl₃(2-(diethylaminomethyl)-4-methylphenol)(PPh₃)(CAS DataBase Reference)
• NIST Chemistry Reference: ReOCl₃(2-(diethylaminomethyl)-4-methylphenol)(PPh₃)(257930-00-0)
• EPA Substance Registry System: ReOCl₃(2-(diethylaminomethyl)-4-methylphenol)(PPh₃)(257930-00-0)

Safety Data

• Hazardous Substances Data: 257930-00-0(Hazardous Substances Data)

Upstream product

• 20484-31-5 2-diethylaminomethyl-4-methylphenol 

Relevant articles and documents

Synthesis, molecular and crystal structure of the zwitterionic Re(V)-oxo complex ReOCl3(L)(PPh3) with L = 2-(diethylaminomethyl)-4-methylphenol

Ligand exchange between 2-(diethylaminomethyl)-4-methylphenol (N∩OH) and ReOCl3(PPh3)2 yields green crystals of the zwitterionic complex ReOCl3(O∩NH)(PPh3). The X-ray diffraction study reveals that the structure consists of monomeric units in which the distorted octahedral coordination around Re is provided by the oxo group, the three Cl atoms in a mer arrangement, the PPh3 ligand and the phenolate oxygen trans to the oxo group. The amino-phenol is monodentate via the phenolate oxygen, whereas the amine in the side-arm has been quaternized by migration of the phenol proton. The resulting ammonium group forms an intramolecular N-H...Cl hydrogen bond with an adjacent Cl ligand, making the complex highly resistant to deprotonation. The 1H NMR spectra indicate that the N-H proton is not labile in CDCl3. Electron delocalisation along the O=Re-O-C(phenolate) moiety via the sp-hybridised oxygen of the end-on coordinated phenolate would be consistent with the short Re-O(phenolate) distance of 1.915(3) A observed.