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(R)-(+)-3-羟基-2-甲氧基羰基-8-甲基-8-氮杂双环-[3.2.1]辛烷l-酒石酸盐。

(R)-(+)-3-Hydr-oxy-2-methoxy-carbonyl-8-methyl-8-azoniabicyclo-[3.2.1]octane l-bitartrate.

作者信息

Yu Jian-Bing, Chen Shuang-Wei, Zheng Guo-Rong, Dai Li-Yan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 31;64(Pt 8):o1653. doi: 10.1107/S1600536808023532.

DOI:10.1107/S1600536808023532
PMID:21203339
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2962227/
Abstract

(RS)-(±)-2-Methoxy-carbonyl-3-tropinone is an important inter-mediate for the preparation of cocaine and its derivatives. The molecule in the title compound, C(10)H(16)NO(3) (+)·C(4)H(5)O(6) (-), is present as the enol tautomer. The six-membered ring adopts a half boat conformation, and the five-membered ring a slightly distorted envelope conformation. There are intra- and inter-molecular hydrogen bonds involving the hydroxyl, carboxyl groups and quaternary ammonium groups.

摘要

(RS)-(±)-2-甲氧基羰基-3-托品酮是制备可卡因及其衍生物的重要中间体。标题化合物C(10)H(16)NO(3) (+)·C(4)H(5)O(6) (-)中的分子以烯醇互变异构体形式存在。六元环呈半船式构象,五元环呈轻微扭曲的信封式构象。存在涉及羟基、羧基和季铵基团的分子内和分子间氢键。

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