388123-83-9

Basic information

• Product Name: ZrCl₄(4-t-BuC₆H₄CH₂PPh₂=NC₆H₂Me₃-2,4,6)
• CAS NO: 388123-83-9
• Molecular Weight: 698.654
• Mol File: 388123-83-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: ZrCl₄(4-t-BuC₆H₄CH₂PPh₂=NC₆H₂Me₃-2,4,6)(CAS DataBase Reference)
• NIST Chemistry Reference: ZrCl₄(4-t-BuC₆H₄CH₂PPh₂=NC₆H₂Me₃-2,4,6)(388123-83-9)
• EPA Substance Registry System: ZrCl₄(4-t-BuC₆H₄CH₂PPh₂=NC₆H₂Me₃-2,4,6)(388123-83-9)

Safety Data

• Hazardous Substances Data: 388123-83-9(Hazardous Substances Data)

Upstream product

• 10026-11-6 zirconium(IV) chloride 
• 388123-78-2 4-t-BuC₆H₄CH₂PPh₂=NC₆H₂Me₃-2,4,6 

Downstream Products

• 21959-01-3 zirconium tetrachloride bis(tetrahydrofuran) complex 

Relevant articles and documents

Titanium and zirconium complexes with sterically hindered arylsubstituted iminophosphoranato ligands

The benzyliminophosphorane 4-ButC6H4CH2P(Ph)2=NC 6H2Me3-2,4,6 reacted with TiCl4 or ZrCl4 to give the N-donor adducts, MCl4{4-ButC6H4CH2P(Ph) 2=NC6H2Me3-2,4,6}. Whereas the zirconium compound proved unreactive, solutions of the titanium analogue at 10-20 °C slowly underwent C-H activation to give the phosphoranato complex TiCl3{4-ButC6H4CHP(Ph)2=N C6H2Me3-2,4,6}. The trichloro complexes MCl3{4-ButC6H4-CHP(Ph)2=N C6H2Me3-2,4,6} were also accessible from Li[4-ButC6H4CHP(Ph)2=NC6H 2Me3-2,4,6] and MCl4 (M = Ti or Zr). The reaction of 4-ButC6H4CH2P(Ph)2=NC 6H2Me3-2,4,6 with Zr(NMe2)4 in refluxing toluene led to Zr(NMe2)3-{4-ButC6H4CHP(P h)2=NC6H2Me3-2,4,6}. The compound is fluxional in solution. Treatment with an excess of Me3-SiCl led to silylation of the ligand to give ZrCl4{4-ButC6H4CH(SiMe3)P (Ph)2=NC6H2Me3-2,4,6}. The structures of 4-ButC6H4CH2P(Ph)2=NC 6H2Me3-2,4,6 and Zr(NMe2)3{4-ButC6H4CHP(Ph )2=NC6H2Me3-2,4,6} were determined by X-ray diffraction.