184899-34-1

Basic information

• Product Name: DIMETHYLSILYL (T-BUTYLAMIDO)CYCLOPENTADIENYL ZIRCONIUM DICHLORIDE
• Synonyms: DIMETHYLSILYL (TERT-BUTYLAMIDO)CYCLOPENTADIENYL ZIRCONIUM DICHLORIDE;DIMETHYLSILYL (T-BUTYLAMIDO)CYCLOPENTADIENYL ZIRCONIUM DICHLORIDE;SOFBZMOAZTVJDZ-UHFFFAOYSA-L
• CAS NO: 184899-34-1
• Molecular Formula: C₁₁H₁₉Cl₂NSiZr
• Molecular Weight: 355.49
• Mol File: 184899-34-1.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• CAS DataBase Reference: DIMETHYLSILYL (T-BUTYLAMIDO)CYCLOPENTADIENYL ZIRCONIUM DICHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: DIMETHYLSILYL (T-BUTYLAMIDO)CYCLOPENTADIENYL ZIRCONIUM DICHLORIDE(184899-34-1)
• EPA Substance Registry System: DIMETHYLSILYL (T-BUTYLAMIDO)CYCLOPENTADIENYL ZIRCONIUM DICHLORIDE(184899-34-1)

Safety Data

• Hazardous Substances Data: 184899-34-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H19NSi.2ClH.Zr/c1-11(2,3)12-13(4,5)10-8-6-7-9-10;;;/h6-9H,1-5H3;2*1H;/q-1;;;+3/p-2/rC11H19Cl2NSiZr/c1-11(2,3)14(16(12)13)15(4,5)10-8-6-7-9-10/h6-9H,1-5H3

Upstream product

• 75-77-4 chloro-trimethyl-silane 
• 174872-32-3 (tert-butyl-N-SiMe₂-cyclopentadienyl)Zr(NMe₂)2 
• 943987-58-4 Zr(NEt₂)4 
• 37828-54-9 lithium tert-butylamide 
• 159771-54-7 Zr(η(5)-C5H4SiMe2Cl)Cl3 

Relevant articles and documents

Stereoelectronic influence of the type of bifunctional ansa- monocyclopentadienyldimethylsilylamido ligand on the molecular structures displayed by zirconium dichloride and 1,4-diphenylbutadiene complexes

A series of organozirconium dichloride and 1,4-diphenylbutadiene complexes featuring a dianionic bifunctional ligand with a cyclopentadienyl-type functionality and an appended amido N donor have been prepared and structurally characterized. [(C5H4)SiMe2(N-t-Bu)]ZrCl 2, 1, [(C9H6)SiMe2(N-t-Bu)]ZrCl 2, 2, and [(C5Me4)SiMe2(N-i-Pr)] ZrCl2, 3, were prepared in two steps, with ligand chelation accomplished by an amine elimination reaction followed by treatment of the diamido Zr intermediate with an excess of SiMe3Cl. X-ray structural analyses reveal that in the solid state 2 is monomeric, whereas 1 and 3 are centrosymmetric dimers linked by a pair of bridging chlorides. The level of asymmetry displayed by the central Zr2(μ-Cl)2 moiety is indicated by the variation in the pair of independent bridging Zr-Cl bond distances, which are 2.618(1) and 2.657(1) A in 1 and 2.542(1) and 2.745(1) A in 3, respectively. The metathetical reactions of [Mg(C 4H4Ph2)(THF)3]n with 1, 2, 3, and [(C5Me4)SiMe2(N-t-Bu)]ZrCl 2 proceed to afford the corresponding 1,4-diphenylbutadiene derivatives 4, 5, 6, and 7, respectively. Solution NMR data show that 6 is obtained exclusively as the supine isomer, whereas compounds 4, 5, and 7 exist as >20:1, 6:1, and 2:1 mixtures of the supine and prone isomers at ambient temperature. The molecular structures of the supine forms of 4, 5, 6, and 7 are appreciably folded (70-80°) along the line of intersection between the plane containing the Zr and the two terminal butadiene carbons and the plane of the cis-butadiene fragment. An increase in the folding is accompanied by a decrease in the difference between the average Zr-C(terminal) and Zr-C(internal) bond distances and leads to a more pronounced long-short-long C-C bond sequence within the coordinated butadiene.

Synthese, Charakterisierung und Polymerisationseigenschaften verbrueckter Halbsandwichkomplexe des Titans, Zirconiums und Hafniums; Die Molekuelstruktur von [C13H8-SiMe2-NtBu]ZrCl2

The synthesis of new ansa halfsandwich complexes of the type [Cp#-SiMe2-NtBu]MCl2 (Cp#=C13H8, C9H6, C5H4, C5H3tBu; M=Zr, Hf) as catalyst precursors for the polymerization of ethylene is described. The complexes were characterized by 1H-, 13C-, 29Si-, 15N- and 14N-NMR spectroscopy. From [C13H8-SiMe2-NtBu]ZrCl2 an X-ray structure was obtained. The activities of the catalysts and the properties of the polymers were investigated. The influence of the catalyst structure on the polymerization behaviour is discussed.