96539-63-8

Basic information

• Product Name: zirconium dichloride diisopropoxide
• CAS NO: 96539-63-8
• Molecular Weight: 280.306
• Mol File: 96539-63-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: zirconium dichloride diisopropoxide(CAS DataBase Reference)
• NIST Chemistry Reference: zirconium dichloride diisopropoxide(96539-63-8)
• EPA Substance Registry System: zirconium dichloride diisopropoxide(96539-63-8)

Safety Data

• Hazardous Substances Data: 96539-63-8(Hazardous Substances Data)

Upstream product

• 125329-94-4 zirconium trichloride isopropoxide (tetrahydrofurane)2 

Relevant articles and documents

Multidentate Lewis acids. Synthesis, structure, and reactions of complexes of bidentate zirconium trichloride alkoxides

The 1:2 tetrahydrofuran adduct 5 of zirconium trichloride isopropoxide adopts a mer octahedral geometry in solution. Partial redistribution occurs to give the 1:2 tetrahydrofuran adduct 3 of ZrCl4. A bidentate zirconium trichloride alkoxide 8 could be prepared by treating the bis(trimethylsilyl) ether 7 of racemic trans-1,2-cyclohexanediol with 2 equiv of the 1:2 tetrahydrofuran adduct 3 of ZrCl4. An X-ray crystallographic study of the tetrahydrofuran adduct of bidentate Lewis acid 8 showed that the electrophilic sites are trans-diaxially oriented and independently bind two molecules of tetrahydrofuran to give mer octahedral complexes. In solution, the adduct decomposes by a redistribution that produces the 1:2 tetrahydrofuran adduct 3 of ZrCl4. The adduct crystallizes in the monoclinic space group P21/c with a = 16.111 (9) ?, b = 10.868 (6) ?, c = 25.178 (13) ?, β = 121.32 (4)°, V = 3766.1 ?3, and Z = 4. Refinement of 3699 reflections yielded R = 0.042 and Rw = 0.042.