Vibrational circular dichroism study and gas chromatographic analysis of chiral epichlorohydrin.
B3PW91
Chiral ECH
Enantiomeric excess (ee)
GC-VCD
Qualitative method
Journal
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
ISSN: 1873-3557
Titre abrégé: Spectrochim Acta A Mol Biomol Spectrosc
Pays: England
ID NLM: 9602533
Informations de publication
Date de publication:
15 Dec 2023
15 Dec 2023
Historique:
received:
20
06
2023
revised:
25
07
2023
accepted:
03
08
2023
medline:
20
8
2023
pubmed:
20
8
2023
entrez:
20
8
2023
Statut:
ppublish
Résumé
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.
Identifiants
pubmed: 37598448
pii: S1386-1425(23)00922-8
doi: 10.1016/j.saa.2023.123237
pii:
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
123237Informations de copyright
Copyright © 2023 Elsevier B.V. All rights reserved.
Déclaration de conflit d'intérêts
Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.