2-(6-Methoxy-7H-purin-7-yl)-1-phenylethanone monohydrate

Abstract

The crystal structure of the title compound, C14H12N4O2·H2O, was determined in the course of our studies of the synthesis and optimization of 7‐aryl‐7H‐purines as inhibitors of the vascular endothelial growth factor receptor (VEGF‐R), c‐Jun NH2‐terminal protein kinase 3 (JNK3) and the p38α mitogen‐activated protein kinase (MAPK). In the title compound, two molecules are associated with each other through O—H...N hydrogen bonds to different N atoms in the purine ring system. The compound was prepared via a regioselective synthesis using the methyl(aqua)cobaloxime complex, CH3Co(DH)2OH2, as a temporary auxiliary. The X‐ray crystallographic results confirmed the regioselective N‐7 alkylation of this molecule.

2-(6-Amino-7H-purin-7-yl)-1-phenylethanone

“…The analogue compound 4 (Buehler et al, 2007) and further purine derivatives related to 5 have been published as crystal structures (Kowalska et al, 1999;Houlton et al, 1999;Takimoto et al, 1983;Hockova et al, 1999;Sood et al, 1998;Baumann et al, 1994).…”