1371899-98-7Relevant articles and documents
Versatile and green synthesis, spectroscopic characterizations, crystal structure and DFT calculations of 1,2,3?triazole?based sulfonamides
Saeidian, Hamid,Sadighian, Hamed,Abdoli, Morteza,Sahandi, Morteza
, p. 73 - 78 (2017)
A green, and practically reliable method for the synthesis of novel 1,2,3?triazole-based sulfonamides via copper (I)?catalyzed azide?alkyne [3 + 2] cycloaddition reaction was reported. The desired products were characterized by CHN analysis, FT-IR, 1H and 13C NMR, ESI-MS spectroscopy, single crystal X-ray diffraction and density functional theory (DFT) geometry optimization and molecular orbital calculations. Mild and green reaction conditions, atom-economic and high yields (61–91%) make this protocol an attractive option for the synthesis of 1,2,3?triazoles bearing sulfonamide moiety. Geometrical structures, vibrational frequencies, 1H and 13C chemical shift values, Mulliken charge distribution and electrophilicity index (HOMO-LUMO analysis) of the characterized structure of 3f in the ground state have been calculated with the aid of DFT studies. The calculated chemical shifts (NMR) and vibrational frequencies (FT-IR) are in compliance with the experimental findings. The aim of the DFT study was to make a reasonable assignment of vibrational bands and chemical shifts.
Highly efficient synthesis of functionalized dihydronaphthalenes, tetrahydronaphthalenes, and tetrahydroisoquinolines by iron-catalyzed intramolecular Friedel-Crafts reaction of aryl-containing propargylic alcohols
Huang, Wen,Hong, Longcheng,Zheng, Pengzhi,Liu, Ruiting,Zhou, Xigeng
body text, p. 3603 - 3610 (2009/09/06)
An efficient, convenient, and one-pot procedure for the synthesis of a series of new dihydro- and tetrahydronaphthalenes as well as tetrahydroisoquinolines has been established through Lewis acid-catalyzed intramolecular Friedel-Crafts reaction of aryl-substituted propargylic alcohols.
