结构化学
結構化學
결구화학
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
2003年
6期
661-664
,共4页
龚晓艳%胡泉源%何建社%罗保生%胡先明
龔曉豔%鬍泉源%何建社%囉保生%鬍先明
공효염%호천원%하건사%라보생%호선명
resolution%di-(S-3-chloro-2-oxy-propyltrimethylammonium)-R%R-tartrate%crystal structure
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)(A°), C16H34Cl2N2O8, Mr = 453.272, V = 2223.0(8)(A°)3, Z = 4, Dc = 1.354 g/cm3,μ= 0.335 mm-1, F(000) = 968, R = 0.0534 and wR = 0.1274 for 4376 observed reflections (I > 2σ(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.
