†The Key Laboratory of Coal to Ethylene Glycol and Its Related Technology, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, China.
‡The State Key Lab of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
Org Lett. 2015 Mar 20;17(6):1369-72. doi: 10.1021/acs.orglett.5b00030. Epub 2015 Mar 9.
A highly effective (1)H NMR method for determining the absolute configurations of various chiral α-hydroxyl acids and their derivatives has been developed with the use of bisthioureas (R)-CSA 1 and (S)-CSA 1 as chiral solvating agents in the presence of DABCO, giving distinguishable proton signals with up to 0.66 ppm chemical shift nonequivalence. Computational modeling studies were performed with Gaussian09 to reveal the chiral recognition mechanism.
已开发出一种高效的 (1)H NMR 方法，用于确定各种手性 α-羟基酸及其衍生物的绝对构型，该方法使用双硫脲 (R)-CSA 1 和 (S)-CSA 1 作为手性溶剂在 DABCO 的存在下，给出了可区分的质子信号，化学位移不等价性高达 0.66 ppm。使用 Gaussian09 进行了计算建模研究，以揭示手性识别机制。
