27804-02-0Relevant academic research and scientific papers
Synthesis, characterization, anti-proliferative activity and chemistry computation of DFT theoretical methods of hydrazine-based Schiff bases derived from methyl acetoacetate and α-hydroxyacetophenone
Parvarinezhad, Sakineh,Salehi, Mehdi
, (2021)
In this study, the synthesized hydrazine Schiff bases belonging to methyl acetoacetate (1) and α-hydroxyacetophenone (2) were prepared by simple methods. In addition, FT-IR, UV–Vis, 1H NMR, Mass spectra, along with melting point and conductivity measurements were used for the characterization of these compounds. The molecular structures of (1) and (2) were determined by single crystal X-ray diffraction technique. X-ray diffraction analysis reveals that (1)crystallizes in the orthorhombic system with Pca21 space group possessing a = 21.1032(12), b = 5.9061(3), c = 10.9717(7), β = 90° while compound (2) crystallizes in the monoclinic system with P21/c space group and a = 7.0386(14), b = 13.275(3), c = 15.071(3), β = 99.27(3)°. Also, theoretical studies were performed within the density functional theory (DFT) framework. Hydrazine compounds (1) and (2) were geometrically optimized using the B3LYP method with (6-311+G+ (d, p)) basis set. Calculated geometrical parameters exhibited a good agreement with experimental value. The optimized parameters from the DFT calculations were in line with experimentally measured Single Crystal X-ray Diffraction (SCXRD) results. The anticancer effects of the synthesized compounds were assayed using MTT assay against cancer cell lines K562 and MG63.
Ring-Chain Isomerism of N-(2-Hydroxyalkyl)nitrones, IV. - Nitrones of Acetone and Isomeric N-Hydroxyoxazolidines
Kliegel, Wolfgang,Enders, Bernhard,Becker, Harald
, p. 1712 - 1721 (2007/10/02)
N-(2-Hydroxyalkyl)nitrones 2 or N-hydroxyoxazolidines 3 are prepared from 2-(hydroxyamino)alkanols 1 and acetone.The spectroscopically detectable ring-chain isomerism 2 3 is proved by acylation and oxidation reactions which give the boron chelates 5 o
