期刊
LETTERS IN ORGANIC CHEMISTRY
卷 19, 期 2, 页码 150-157出版社
BENTHAM SCIENCE PUBL LTD
DOI: 10.2174/1570178618666210610170234
关键词
Amidoalkyl naphthol; PEG-400; green; 4-substituted benzamide; 2-Naphthol; DFT
资金
- Research Council of Shahid Bahonar University of Kerman, Kerman, Iran
This study presents an efficient synthesis of amidoalkyl naphthols using PEG-400 as a solvent. The main advantage is the effective reaction of benzamide derivatives with low reactivity. Theoretical investigations were conducted to analyze the molecular structure and spectroscopic properties of the synthesized compounds.
An efficient synthesis of amidoalkyl naphthols from the multicomponent reaction of 2 naphthol, aromatic aldehydes, and benzamide derivatives using PEG-400 as an environmentally friendly solvent is described. The main advantage of this protocol is that the benzamide derivatives with low reactivity, such as 4-nitro benzamide, can react effectively. Also, the molecular structure, IR, and C-13 NMR spectra of the synthesized compounds are also investigated theoretically. Density functional theory (DFT) calculations at the B3LYP level of theory are carried out to locate optimized geometries and calculate vibrational normal modes and C-13 NMR chemical shifts. These calculations enable us to assign the observed FT-IR and C-13 NMR peaks to the corresponding vibrational motions and C-13 atoms, respectively.
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