Ethyl 1-(4-methoxybenzyl)-3-p-tolyl-1H-pyrazole-5-carboxylate

Abstract

Ethyl 1-(4-methoxybenzyl)-3-p-tolyl-1H-pyrazole-5-carboxylate Chuan-Xing Shi and Yun-Man Xie S1. Comment Synthesis of nitrogen-containing heterocyclic compounds has been a subject of great interest due to the wide application in agrochemical and pharmaceutical fields (Ge et al.; 2011, 2009). Some pyrazole derivatives which belong to this category have been of interest for their biological activities. Considerable efforts have been devoted to the development of novel pyrazole compounds. We report here the crystal structure of the title compound, (I) (Fig. 1) S2. Experimental A mixture of ethyl 3-p-tolyl-1H-pyrazole-5-carboxylate (0.02 mol), 1-(chloromethyl)-4-methoxybenzene (0.0024 mol) and potassium carbonate (0.02 mol) in acetonitrile (100 ml) was heated to reflux for 10 h. The solvent was removed under reduced pressure and an product was isolated by column chromatography on silica gel (yield 85%). Crystals of (I) suitable for X-ray diffraction were obtained by slow cooling of the refluxed solution of the product in ethyl acetate at room temperature for 2 d. S3. Refinement All H atoms were placed in geometrically calculated positions and refined using a riding model with C-H = 0.97 Å (for CH 2 groups) and 0.96 Å (for CH 3 groups), their isotropic displacement parameters were set to 1.2 times (1.5 times for CH 3 groups) the equivalent displacement parameter of their parent atoms. supporting information sup-2 Acta Cryst. (2011). E67, o1084 supporting information sup-6 Acta Cryst. (2011). E67, o1084 supporting information sup-7