Synthesis, structure, Hirshfeld surface, DFT and in silico studies of 4-[(E)-(2, 5-dimethoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (DMAP) and its metal complexes

Experimental and DFT Investigation of 6‐arylated‐pyridin‐3‐yl methanol Derivatives

“…In the 1 H NMR spectra of CPPM , a singlet resonated at δ 2.30 ppm owing to a hydroxy proton of O8, a singlet resonated at δ 4.76 ppm because of CH 2 proton of C7, two doublets peaks resonated at δ 7.67 and 7.76 ppm are because of CH proton of C6 and C1 of the pyridinyl moiety, furthermore, two doublets resonated at δ 7.42 and 7.90 ppm are owing to aromatic 4CH protons of C9, C11, C12, and C14 of the substituted phenyl ring, and a sharp singlet peak resonated at δ8.61 ppm is owing to CH proton of C4. For the 13 C NMR spectrum of CPPM , the peak at δ 62.6 ppm is owing to methylene CH 2 carbons attached to C7, and the peaks at δ=115.6, 130.1, 113.7, 120.4, 115.6, 114 ppm demonstrating seven methines (CH) carbons C12, C14, C6, C1, C9, C11, and C14, however, peaks at δ 122.3, 130.2 ppm are because of two quaternary carbons C5 and C13 and peak at δ 148.5, and 122.4 ppm are because of the C2 carbon of pyridinyl ring and C10 of substituted phenyl ring [77] …”

“…For the 13 C NMR spectrum of CPPM, the peak at δ 62.6 ppm is owing to methylene CH 2 carbons attached to C7, and the peaks at δ = 115.6, 130.1, 113.7, 120.4, 115.6, 114 ppm demonstrating seven methines (CH) carbons C12, C14, C6, C1, C9, C11, and C14, however, peaks at δ 122.3, 130.2 ppm are because of two quaternary carbons C5 and C13 and peak at δ 148.5, and 122.4 ppm are because of the C2 carbon of pyridinyl ring and C10 of substituted phenyl ring. [77]…”

®Optimization of the Hydrolysis Reaction Process in the Synthesis of 4‐Aminoantipyrine by Response Surface Methodology and its Kinetics

“…In addition, AA and its derivatives are excellent coordination reagents for metal ions, and they are able to form a variety of metal complexes with various transition metal ions and lanthanides, which have significant applications in the fields of optical, [7] electricity, [8] medicinal chemistry, [9] biology, [10] and materials science [11] . For example, in recent years, Schiff alkali metal complexes of 4‐aminoantipyrine and its derivatives have been recognized for their anticancer, [12] antitumo, [13] antioxidant, [14] analgesic, [15] sedative, [16] cytotoxicity assay, [17] anti‐inflammatory [18] . It is worth noting that in environmental monitoring, AA is widely used in the international standardization organization for the spectrophotometric determination of volatile phenolics in water [19] …”