CCDC no.: 1499592One of the two independent molecules is shown in the figure. Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters.
Source of materialTo a solution of ethyl 3-phenyl-1H-pyrazole-5-carboxylate (1.08 g, 5.24 mmol) and benzyl chloride (0.66 g, 5.24 mmol) in acetonitrile (25 mL) was added K 2 CO 3 (0.72 g, 5.24 mmol). The mixture was refluxed for 5 h and the precipitate was evaporated to dryness under reduced pressure. The residue was purified by column chromatography on silica gel using ethyl acetate and petroleum ether (1:5, v/v), to obtain the target compound in 5.9% yield. Crystals were obtained by slow evaporation of methanol solution at room temperature.
Experimental detailsAll H atoms were placed in idealized positions and treated as riding on their parent atoms, with d(C-H) = 0.96 (methyl) and 0.97 Å (methylene), U iso (H) = 1.5Ueq(C) and
DiscussionSome pyrazoles are attractive five-membered nitrogencontaining compounds due to their fluorescence properties
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