Tetrabenzylzirconium

[24356-01-2] C28H28Zr (MW 455.754) InChI = 1S/4C7H7.Zr/c4*1-7-5-3-2-4-6-7;/h4*2-6H,1H2; InChIKey = IJGRUMAEYZWBQI-UHFFFAOYSA-N (reagent used for α-olefin polymerization and starting material for the synthesis of zirconium coordination compounds) Physical Data: mp 133–134 °C;1 1H NMR (benzene-d6): δ 1.53 (s, 8H, CH2), 6.36 (d, J = 7 Hz, 8H, ortho-C6H5), 7.04 (m, 12H, meta and para-C6H5); 13C NMR (benzene-d6): δ 72.3 (d, J = 136 Hz, CH2), 124.3 (para-C6H5), 128.5, 130.7, 141.0 (ortho-C6H5).1a,2 Solubility: soluble in toluene, hexane, ether, and THF. Form Supplied in: commercially available; yellow-brown solid. Purification: recrystallization from toluene. Preparative Method: a salt elimination reaction for synthesizing Zr(CH2Ph)4 has been described.1a,2 The following method affords a crude product: Zr(CH2Ph)4 is synthesized by reacting 4 equiv of PhCH2MgBr, prepared from PhCH2Br and Mg turnings, with ZrCl4 in ether at −78 °C (eq 1). After removal of the magnesium salt, the product was recrystallized by dissolution in toluene. (1) Handling, Storage, and Precautions: is moisture sensitive and should be handled and stored under inert gas atmosphere (e.g., N2 and Ar); light shielding is necessary; nonprotic solvents need to be used; syringe techniques are adequate; use in a fume hood.