The crystal structure of 9α-(3-azabicyclo[3,3,1]nonanyl)-2′-cyclopentyl-2′-hydro- xyl-2′-thienylacetate (C16H27NO3S, Mr = 349.48) has been determined by single-crystal X-ray diffraction analysis. The crystal belongs to orthorhombic, space group P212121 with a = 14.937(3), b = 8.1673(16), c = 15.423(3) ,A, V = 1881.5(6) ,A^3, Z = 4, Dc =1.234 g/cm^3, μ = 0.188 mm^-1, F(000) = 752, the final R = 0.0468 and wR = 0.1251. The bicyclo[3,3,1]nonane ring system adopts the most favored twin-chair conformation. The crystal structure shows the existence of intramolecular O-H…O hydrogen bonds by which a one-dimensional chain structure is formed.
LIU He HAN Xiang-Yu ZHANG Yan-Ping ZHONG Bo-Hua LIU Ke-Liang
A novel and simple procedure for the enantiospecific synthesis of penehyclidine hydrochloride (8018) isomers and the R configuration derivatives was described. The intramolecular asymmetric cyclization of the monosulfonate of compound 1,2-diol was applied to the execution of the synthesis of the key chiral building block for the first time. The aimed products were obtained with moderate yield in〉99% ee.