Vibrational circular dichroism study and gas chromatographic analysis of chiral epichlorohydrin

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy(2023)

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摘要
In recent years, there have been numerous incidents of serious accidents related to impurities of optical isomers, particularly in pharmaceutical treatment, environmental problems, and pesticide application. Among these impurities, chiral epichlorohydrin (ECH) is an important C3 synthon and a potentially genotoxic impurity. The enantiopure forms of S-ECH and R-ECH are key raw materials for synthesizing many drugs, which make it important to accurately quantify the specific conformation of chiral epichlorohydrin in pharmaceuticals. In this paper, we achieved the separation of chiral ECH by gas chromatography (GC) and based on the combination of vibrational circular dichroism (VCD) experiments and theoretical calculations, the qualitative method of chiral ECH was achieved without relying on a single enantiomeric standard.
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关键词
GC-VCD,Chiral ECH,B3PW91,Enantiomeric excess (ee),Qualitative method
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