¹H, ¹³C, ¹⁵N NMR, ESI mass spectral and single crystal X-ray structural characterization of three spiro[pyrrolidine-2,3′-oxindoles]

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• 作者：K. Laihia ; A. Valkonen ; E. Kolehmainen ; A. Antonov ; D. Zhukov ; I. Fedosov ; V. Nikiforov
• 关键词：Spiro[pyrrolidine-2 ; 3&#x2032 ; -oxindoles] ; ¹H ; ¹³C ; ¹⁵N NMR ; Chemical shifts ; Single crystal X-ray structure ; ESI-TOF mass spectrometry
• 刊名：Journal of Molecular Structure
• 出版年：2006
• 期刊代码：62_00222860
• 类别：ch
• 出版时间：4 December 2006
• 卷：800
• 期：1-3
• 页码：100-105
• 文件大小：216 K

摘要

Three spiro[pyrrolidine-2,3′-oxindoles], 1,1′,2,2′,5′,6′,7′,7′a-octahydro-2-oxo-1′-phenyl-spiro[3H-indole-3,3′-[3H]-pyrrolizine]-2′-carboxylic acid methyl ester (ng>1ng>), 1,1′,2,2′,5′,6′,7′,7′a-octahydro-2-oxo-1′-nitro-2′-phenyl-spiro[3H-indole-3, 3′-[3H]-pyrrolizine] (ng>2ng>) and 1,1′,2,2′,5′,6′,7′,7′a-octahydro-2-oxo-1′-nitro-2′-(4″-chlorophenyl)-spiro[3H-indole-3,3′-[3H]-pyrrolizine] (ng>3ng>) have been synthesized and their ¹H, ¹³C and ¹⁵N spectra assigned. The chemical shift assignments are based on Pulsed Field Gradient (PFG) Double Quantum Filter (DQF) ¹H, ¹H correlation spectroscopy (COSY), PFG ¹H, ¹³C Heteronuclear Multiple Quantum Coherence (HMQC) and PFG ¹H,X (X = ¹³C and ¹⁵N) Heteronuclear Multiple Bond Correlation (HMBC) experiments. The single crystal X-ray structures of ng>1ng>–ng>3ng> have been determined. Compounds ng>1ng> and ng>2ng> crystallized in monoclinic space group C2/c and compound ng>3ng> in monoclinic space group P2₁/c, respectively. Also the ESI-TOF MS data of ng>1ng>–ng>3ng> are given.