Determination of isotope abundance for deuterium‐labeled compounds by quantitative 1H NMR + 2H NMR. (5th July 2022)

• Record Type: Journal Article
• Authors: Xie, Long; Zhao, Yameng; Sheng, Liyan; Feng, Shancheng; Shen, An; Chen, Yanqiu; Zhao, Cheng; Song, Mingming; Hu, Yucai; Lei, Wen
• Is Part Of: Journal of labelled compounds & radiopharmaceuticals. Volume 65:Number 9(2022)
• Page Start: 234
• Page End: 243
• Publication Date: 2022-07-05
• Subjects: 1H NMR -- 2H NMR -- deuterium isotope abundance -- fully labeled compound -- partially labeled compound; Tracers (Chemistry) -- Periodicals; Radiopharmaceuticals -- Periodicals; 615.8424
• DOI: 10.1002/jlcr.3990
• Languages: English
• ISSNs: 0362-4803

Abstract

Abstract : Deuterated reagents have been used in many research fields. Isotope abundance, as the feature parameter of deuterated reagents, the precise quantification, is of great importance. Based on quantitative nuclear magnetic resonance technology, a novel method that combines 1 H NMR + 2 H NMR was systematically established to determine the isotopic abundance of deuterated reagents. The results showed that the isotopic abundance of partially labeled and fully labeled compounds calculated by this new method was even more accurate than that calculated by classical 1 H NMR and mass spectrometry (MS) methods. In brief, this new method is a robust strategy for the determination of isotope abundance in large‐scale deuterated reagents. Abstract : 1 H NMR + 2 H NMR method can obtain the isotope abundance of deuterium reagents by employing a single NMR tube. It has promising application potential for the evaluation of deuterium abundance and in the quality control process for deuterated reagents.