%0 Journal Article
%T Simple and Efficient One-Pot Synthesis, Spectroscopic Characterization and Crystal Structure of Methyl 5-(4-Chlorobenzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate
%A Imtiaz Khan
%A Jonathan M. White
%J Crystals
%D 2012
%I MDPI AG
%R 10.3390/cryst2030967
%X A facile one-pot synthesis of methyl 5-(4-chlorobenzoyloxy)-1-phenyl-1 H-pyrazole-3-carboxylate (4) is described. The title compound was efficiently synthesized by the reaction of phenyl hydrazine, dimethyl acetylenedicarboxylate and 4-chlorobenzoyl chloride in dichloromethane under reflux in good yield. The structure of the target compound was deduced by modern spectroscopic and analytical techniques and unequivocally confirmed by a single crystal X-ray diffraction analysis. The crystal of the title compound belongs to orthorhombic system, space group P 2 1 2 1 2 1 with cell parameters a = 6.6491(3) £¿, b = 7.9627(6) £¿, c = 30.621(5) £¿, ¦Á = ¦Â = ¦Ã = 90¡ã and Z = 4. The crystal packing of the compound (4) is stabilized by an offset ¦Ð-stacking between the planar benzoyl-substituted diazole moieties.
%K one-pot synthesis
%K pyrazole
%K dimethyl acetylenedicarboxylate
%K phenyl hydrazine
%K benzoyl chloride
%K crystal structure
%U http://www.mdpi.com/2073-4352/2/3/967