| Resolution of RS-3-chloro-2-oxy-propyltrimethylammonium-chloride and Crystal Structure Studies on Its R,R-tartrate |
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| 引用本文： | 龚晓艳,胡泉源,何建社,罗保生,胡先明. Resolution of RS-3-chloro-2-oxy-propyltrimethylammonium-chloride and Crystal Structure Studies on Its R,R-tartrate[J]. 结构化学, 2003, 22(6): 661-664 |
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| 作者姓名： | 龚晓艳 胡泉源 何建社 罗保生 胡先明 |
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| 作者单位： | College of Chemistry and Molecule，Wuhan University，Wuhan，Hubei 430072，China |
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| 摘 要： | 1 INTRODUCTION RS-3-chloro-2-oxy-propyltrimethylammonium-chloride 1 and its enantiomers were important inter- mediates. For example, S-(-)-1 is an intermediate of L-carnitine[1]; R-(+)-1 is an intermediate of optically pure acetylcholine[2]; and compound 1 has also been used in other ways[3, 4]. RS-3-chloro-2-oxy-propyltrimethylammonium-chloride 1 has been synthesized and resolved with R,R-tartric acid. Di-(S-3-chloro-2-oxy-propyltri- methylammonium)-R,R-tartrate 2 was obtained and …
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| 关 键 词： | RS-3-氯代-2-氧代-丙基三甲基氯化铵 晶体结构 R,R-酒石酸酯 酒石酸 溶解 合成 肉碱 乙酰胆碱 中间体 |
Resolution of RS-3-chloro-2-oxy- propyltrimethylammonium-chloride and Crystal Structure Studies on Its R,R-tartrate |
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| GONG Xiao-Yan HU Quan-Yuan HE Jian-She LUO Bao-Sheng HU Xian-Ming. Resolution of RS-3-chloro-2-oxy- propyltrimethylammonium-chloride and Crystal Structure Studies on Its R,R-tartrate[J]. Chinese Journal of Structural Chemistry, 2003, 22(6): 661-664 |
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| Authors: | GONG Xiao-Yan HU Quan-Yuan HE Jian-She LUO Bao-Sheng HU Xian-Ming |
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| Abstract: | RS-3-chloro-2-oxy-propyltrimethylammonium-chloride 1, an important inter- mediate of carnitine and acetylcholine, has been synthesized and resolved by using R,R-tartric acid. Di-(S-3-chloro-2-oxy-propyltrimethylammonium)-R,R-tartrate 2, with optical purity of 81.76%, has been obtained. Compound 2 was characterized by IR spectroscopy, MS, NMR and X-ray diffrac- tion, and it crystallizes in orthorhombic, space group P212121, absolute structure parameter 0.56(8), with cell parameters a = 8.323(2), b = 10.203(2), c = 26.178(5) ? C16H34Cl2N2O8, Mr = 453.272, V = 2223.0(8) ?, Z = 4, Dc = 1.354 g/cm3, m = 0.335 mm-1, F(000) = 968, R = 0.0534 and wR = 0.1274 for 4376 observed reflections (I > 2s(I)). The lattice is composed of two S-3-chloro- 2-oxy-propyltrimethylammonium cations and one R,R-tartrate dianion which are arranged in separate stacks linked via hydrogen bonds. |
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| Keywords: | resolution di-(S-3-chloro-2-oxy-propyltrimethylammonium)-R R-tartrate crystal structure |
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