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Synthesis and crystal structure of 1-(4-bromobenzyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
Authors:Marianne Sveaas Løiten  Christian Gløgård  Jo Klaveness  Berit Fjærtoft
Institution:(1) School of Pharmacy, University of Oslo, P.O. Box 1155, N-0316 Oslo, Norway
Abstract:1-(4-Bromobenzyl)-4-methyl-2,6,7-trioxabicyclo2.2.2]octane, C13H15BrO3, has been synthesized from 4-bromophenylacetic acid chloride via the oxetan ester (3-methyl-3-oxetanyl)methyl-2-(4-bromophenyl)acetate. The crystal structure of the title compound has been determined at low temperature (120 K), by X-ray diffraction methods. This compound crystallizes in the monoclinic space group P21/n (No. 14), Z = 4, with lattice parametersa = 6.019(5), b = 20.990(5), c = 9.915(2) Å, and beta = 101.29(1)°.
Keywords:contrast agents  crystal structure  ortho ester
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