Synthesis, Spectroscopic Properties and DFT Calculation of Novel Pyrrolo[1^′,5^′-a]-1,8-naphthyridine Derivatives through a Facile One-pot Process

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• 作者：GAO-ZHANG GOU ; BO ZHOU ; HE-PING YAN ; YONG HONG ; WEI LIU…
• 关键词：Indolizine ; 1 ; 8 ; naphthyridine ; density functional theory ; crystal structure ; spectroscopic properties.
• 刊名：Journal of Chemical Sciences
• 出版年：2016
• 出版时间：November 2016
• 年：2016
• 卷：128
• 期：11
• 页码：1813-1821
• 全文大小：2,445 KB
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Chemistry
  Chemistry
  
• 出版者：Springer India
• ISSN：0973-7103
• 卷排序：128

文摘

Novel pyrrolo[1′,5′-a]-1,8-naphthyridine compounds (L1-L4) have been synthesized through a facile one-pot process by the reaction of the corresponding 1,8-naphthyridines with aliphatic anhydride. The structures were established by spectroscopic data. Further, X-ray crystal analysis of 7-diacetamino-2,4-dimethy-1,8-naphthyridine (L1) identifies its molecular structure and reveals π- π stacking. The synthetic mechanisms for L2, L3 were studied by density functional theory calculations. And a comprehensive study of spectroscopic properties involving experimental data and theoretical studies is presented. L1 exhibited electronic absorption spectrum with λ_max at ∼320 nm. L2-L4 exhibited similar electronic absorption spectra with λ_max at ∼390 nm that is tentatively assigned to π→π* transition. The assignment was further supported by density functional theory (DFT) calculations.