In the previous research, it has been found that cyclohexanone pentaerythritol ketal has some bioactivity in the treatment of hurt in sports. In this work, cyclohexanone pentaerythritol ketal was synthesized from cyclohexanone and pentaerythritol by condensation catalyzed by zeolite and modified zeolite, and the reaction condition was discussed. It was characterized by NMR, MS spectrum and single-crystal X-ray diffraction. It crystallizes in orthorhombic space group, P21, with a unit cell dimensions of a = 11.1214(9) Å, b = 13.9216(6) Å and c = 11.6658(10) Å. There are two molecules with different conformation in the crystal, varying from bond lengths to angles. The stacking interaction is responsible for the crystal's 1-D supra-molecular structure. Introduction In the synthesis chemistry, acetals/ketals are important in synthetic carbohydrate and steroid chemistry [1, 2]. Acetonide formation is the commonly used protection for 1, 2-(cis)and 1,3-diols, which have extensively been used in carbohydrate chemistry to selectively mask the hydroxyls of different sugars. Besides the interest of acetals/ketals as protecting groups, they are used both as intermediates and as end products, in the phyto pharmaceutical, fragrances and lacquers industries [3,4]. They have found direct applications as solvents in fragrance industries, cosmetics, food and beverage additives, pharmaceuticals, the synthesis of enantiomerically pure compounds, detergent and lacquer industries, and polymer chemistry [5-10]. Acetals have been also used in motor oils, lubricating oils, and hydraulic fluids and as an invert-emulsion for drilling petroleum operations [11]. In the previous research, it has been found that cyclohexanone pentaerythritol ketal has some bioactivity in the treatment of hurt in sports. Besides, pentaerythritol acetals in general are applied as plasticizers and vulcanizers, as physiologically active substance, potential protective groups for aldehydes and ketones, as raw materials for production of valuable resins and lacquers, as physiologically active substances [12]. In this article, we synthesized cyclohexanone pentaerythritol ketal (shown in Scheme 1) and determined its crystal structure by single-crystal X-ray.
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