Crystal and Molecular Structure of (−)-<I>erythro</I>-1′-(2,5-Dimethoxyphenyl)-3′-diethylaminobutyl Acetate Hydrobromide

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概要

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• In order to determine the stereospecificity and absolute configuration of 1′-(2,5-dimethoxyphenyl)-3′-diethylamino-<I>n</I>-butanol, X-ray structure analysis of its acetate hydrobromide has been carried out. The crystal of the derivative belongs to the monoclinic space group C2, with lattice constants <I>a</I>=14.21<SUB>8</SUB>, <I>b</I>=8.29<SUB>0</SUB>, <I>c</I>=18.18<SUB>7</SUB>Å, β=108.1°, containing four formula units of C<SUB>18</SUB>H<SUB>29</SUB>O<SUB>4</SUB>N·HBr in a unit cell. The structure was solved by the heavy atom method and refined by the block-matrix least squares method to an <I>R</I> value of 0.06. The absolute configuration was determined by the use of the anomalous dispersion method, the configuration at the two asymmetric carbon atoms being found to be <I>S</I>.

• 公益社団法人 日本化学会の論文

著者

• Iitaka Yoichi

  Faculty Of Medicine Teikyo University

• IITAKA YOICHI

  Faculty of Pharmaceutical Sciences, University of Tokyo

• Masuda Yoshihiro

  Faculty of Pharmaceutical Sciences, University of Tokyo

• Hamano Hiroaki

  Research Laboratory, Pharmaceutical Division, Nippon Kayaku Co., Ltd.

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