54519-18-5Relevant articles and documents
Treatment of cadmium(II) and zinc(II) with N2-donor linkages in presence of β-diketone ligand; supported by structural, spectral, theoretical and docking studies
Marandi, Farzin,Moeini, Keyvan,Alizadeh, Fereshteh,Mardani, Zahra,Quah, Ching Kheng,Loh, Wan-Sin,Woollins, J. Derek
, p. 717 - 725 (2018)
Five compounds, {(μ-OAc)(DPPD)Cd(μ-PYZ)Cd(DPPD)(μ-OAc)}n (1); HDPPD: 1,3-diphenylpropane-1,3-dione; PYZ: pyrazine, {Cd(μ-4,4′-Bipy)(DPPD)2}n (2) Bipy: bipyridine [(DPPD)2Zn(μ-4,4′-Bipy)Zn(DPPD)2] (3), {Cd(μ-DPP)(DPPD)2}n (4); DPP: 1,3-di(pyridin-4-yl)propane and (Z)-3-hydroxy-1,3-bis(4-methoxyphenyl)prop-2-en-1-one (Z-HMPP), were prepared and identified by elemental analysis, FT-IR, 1H NMR spectroscopy and single-crystal X-ray diffraction. 1,2 and 4 form 1D coordination polymers whereas 3 adopts a binuclear structure with the zinc atom in a distorted square-pyramidal geometry. In addition to these complexes, the enolic structure of the Z-HMPP is reported. The ability of compounds to interact with the nine biomacromolecules (BRAF kinase, CatB, DNA gyrase, HDAC7, rHA, RNR, TrxR, TS and Top II) is investigated by the Docking calculations (for 3 and its ligands). The charge distribution pattern of the optimized structure of 3 was studied by NBO analysis. The Polymer Stability Slope for pentameric chain (PSS5, new parameter which is proposed in this paper) of the coordination polymers of 1, 2 and 4 were calculated to investigate the variation of energy level during the growing the polymeric chain in the solid phase.
Facile access to 1,3-diketones by gold(i)-catalyzed regioselective hydration of ynones
Kuang, Jinqiang,Zhou, Tao,You, Tingjie,Chen, Jianhui,Su, Chenliang,Xia, Yuanzhi
supporting information, p. 3940 - 3944 (2019/04/30)
A facile and efficient synthesis of 1,3-diketones was developed by the gold(i)-catalyzed regioselective hydration of ynones at room temperature. This methodology employed 2.5 mol% of PPh3AuCl and 3 mol% of AgOTf as a simple catalytic system wit
UV absorption and keto-enol tautomerism equilibrium of methoxy and dimethoxy 1,3-diphenylpropane-1,3-diones
Zawadiak, Jan,Mrzyczek, Marek
experimental part, p. 925 - 929 (2010/04/02)
UV absorption spectra of 1,3-diphenylpropane-1,3-dione (1), its three methoxy derivatives (2-4) and its six dimethoxy derivatives (5-10) in various solvents dissolved were collected. The keto-enol tautomerism equilibrium constant was calculated with 1H NMR. The position of the methoxy group in 1,3-diphenylpropane-1,3-dione was shown to have an influence on the molecule's UV absorption spectrum and the keto-enol tautomerism equilibrium constant. The methoxy group in the para position increases the absorption of radiation in the UV-A range. A shift to the keto form in the keto-enol tautomerism equilibrium is experienced by compounds with methoxy groups in ortho position. When two methoxy groups are present, the influence of their position is cumulative.
