1H and 13C NMR Assignments for the Cyanine Dyes SYBR Safe and Thiazole Orange

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• 作者：William E. Evenson ; Lauren M. Boden ; Katy A. Muzikar ; Daniel J. O鈥橪eary
• 刊名：The Journal of Organic Chemistry
• 出版年：2012
• 出版时间：December 7, 2012
• 年：2012
• 卷：77
• 期：23
• 页码：10967-10971
• 全文大小：233K
• 年卷期：v.77,no.23(December 7, 2012)
• ISSN：1520-6904

文摘

Analysis of ¹H and ¹³C NMR and mass spectral data for the fluorescent nucleic acid stain SYBR Safe indicates that it contains a cyanine-based cationic core structure identical to thiazole orange. The difference between these two compounds is the type of N-substitution on the quinolinium ring system (SYBR Safe, n-Pr; thiazole orange, Me). The ¹H and ¹³C NMR resonances for both compounds were assigned on the basis of one- and two-dimensional (COSY, ROESY, HSQC, and HMBC) experiments. The preferred conformation of these compounds was computed by ab initio methods and found to be consistent with the NMR data.