Synthesis and characterization of 1,3-bis(2-fluorophenyl)-5-pentyl-1,3,5-triazinane

A new triazinane derivative was obtained by condensation reaction of pentylamine, 2-fluoroaniline and formaldehyde (formalin) in basic solution to yield 1,3-bis(2-fluorophenyl)-5-pentyl-1,3,5-triazinane. The structure of the synthesized compound was characterized by spectroscopic methods: FT-IR, UV-Vis, 13C, 19F and 1H NMR

Synthesis, characterization and antimicrobial evaluation of 1-((5,3-diaryl)-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one

1-((5,3-Diaryl)-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one, 6-10, have been synthesized by the reaction of chalcone derivatives, 1-5, with hydrazine hydrate in hot propanoic acid solution. All these compounds were characterized by different spectroscopic techniques (FT-IR, 1H and 13C NMR) and elemental analyses. All the synthesized products were evaluated for antimicrobial activity. All the compounds exhibited significant to moderate antimicrobial activity

Synthesis of new curcumin analogues from Claisen-Schmidt condensation

A series of new curcumin analogues were obtained by Claisen-Schmidt condensation of substituted benzaldehydes with cyclohexanone derivatives using the ratio of 1:2 of ketone to aldehyde in dilute ethanolic solution under base catalyzed (NaOH) conditions at room temperature in good yields. The structures of the synthesized compounds were confirmed by data of IR, 1H NMR, and 13C NMR spectra

(E,E)-3-Methyl-2,5-bis(4-methylbenzylidene)cyclopentanone synthesis, characterization, Hirshfeld surface analysis and antibacterial activity

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Crystal structure of 3-[4-(1-methylethyl)phenyl]-1-(naphthalen-2-yl)prop-2-en-1-one

The title compound, C22H20O, was synthesized by reacting 4-isopropylbenzaldehyde with 2-acetonaphtone by aldolic condensation under Claisen–Schmidt conditions. The molecule consists of a naphthalene group and a benzene ring with a pendant isopropyl moiety, both rings bound by a propenone linker. The naphthalene ring system is almost planar [maximum deviation from the least-squares plane = 0.026 (10) Å] and subtends a dihedral angle of 52.31 (4)° with the benzene ring. The propenone linker, in turn, deviates slightly more from planarity [maximum deviation = 0.125 (18) Å] and has its least-squares plane oriented midway the former two, at 25.62 (6) and 28.02 (5)° from the naphthalene ring system and the benzene ring, respectively. Finally, the isopropyl group presents its CC2 plane almost perpendicular to the benzene ring, at 85.30 (4)°. No significant hydrogen bonding or π–π stacking interactions are found in the crystal structure

Synthesis and spectral studies of 3,5-bis(4-chlorophenyl)-1-propyl-1,3,5-triazinane

A hexahydrotriazine derivative was synthesized via a condensation reaction of 4-chloroaniline, propylamine and formalin. The structure of the synthesized compound was confirmed and characterized by using various spectral techniques like FT-IR, 1H NMR, 13C NMR and UV spectroscopy

1-Formyl-3-phenyl-5-(4-isopropylphenyl)-2-pyrazoline: Synthesis, characterization, antimicrobial activity and DFT studies

WOS: 000379094100006The structure of 1-formy1-3-phenyl-5-(4-isopropylpheny1)-2-pyrazoline synthesized as single crystal was investigated by FTIR, NMR, XRD. Experimental data were complemented by quantum mechanical calculations. XRD data show that the compound crystallizes in the triclinic system (P-1) via trans isomer (a = 6.4267(4) angstrom, b = 10.9259(12) angstrom, c = 12.4628(9) angstrom and alpha = 102.894(8)degrees, beta = 102.535(6)degrees, gamma = 101.633(7)degrees). Anti-microbial screening results indicate that the compound shows promising activity. The theoretically predicted and experimentally obtained parameters reveal further insight into pyrazoline systems. (C) 2016 Elsevier B.V. All rights reserved.Tassili Programme [15MDU940]; Deanship of Scientific Research at King Saud UniversityScience and Technology Development Fund (STDF) [RGP VPP-207]AM and DL acknowledge the Tassili Programme No 15MDU940 for the financial support. The authors are thankful to reviewers for their useful comments to improve the manuscript. The authors extend their appreciation to the Deanship of Scientific Research at King Saud University for the research group Project No. RGP VPP-207

Enhanced corrosion inhibition of carbon steel in HCl solution by a newly synthesized hydrazone derivative: Mechanism exploration from electrochemical, XPS, and computational studies

International audienceThe corrosion inhibition properties of a synthesized hydrazone derivative namely, 1-(4-isopropyl phenyl) -2- (2,4-dinitrophenyl) (HYD (iso)) on API 5L-X60 carbon steel (CS) in 1.0 M HCl solution were evaluated by chemical, electrochemical, X-ray photoelectron spectroscopy (XPS) and theoretical studies. The obtained results revealed that the tested compound acted as a good corrosion inhibitor with inhibition efficiency of 96.32% at a concentration of 5 × 10−3 M. The polarization technique indicated that the HYD (iso) belonged to mixed-type inhibitors, preventing simultaneously anodic and cathodic reactions. The binding between the HYD (iso)'s molecule and CS surface follows a Langmuir adsorption type model and its inhibition mechanism is assisted by physical and chemical interactions. Scanning electron microscope (SEM) and contact angle analyses were performed to examine the surface morphology of inhibited and uninhibited samples. Additionally, theoretical studies using Density Functional Theory (DFT) and molecular dynamics (MD) simulation were performed to explore the most reactive sites of the hydrazone molecule and its adsorption mechanism

Hydrazone analogs as DNA gyrase inhibitors and antioxidant agents: Structure-activity relationship and pharmacophore modeling

International audienceIn this paper, we report the synthesis and the structure–activity relationship study of three hydrazone analogs; the Schiff base hydrazone SBH and 2, 4-dinitrophenylhydrazones H1 & H2 derived from (E)-chalcones, to identify the active fragment of each structure. This identification has been carried out following in vitro biological evaluation, which revealed that the analogs H1 and H2 showed significant antibacterial activity due to their (E)-chalcone fragments characterized by proton NMR data and demonstrated by the docked view with emphasis on the involvement of these moieties in the interaction with the DNA gyrase, and thus contributes to the pharmacophore modeling. At the same time, SBH exhibited the highest free radical DPPH scavenging power associated with hydrogen bonding and conjugated push−pull chromophores, which were elucidated by reported vibrational assignments and absorption spectra. The DFT optimizations gave rise to non-planar and distorted structures around the hydrazone group with comparable geometrical parameters. The chemical descriptors predict comparable biological activities, while the BDE necessary for the H-abstraction indicated the best antioxidant activity for the Schiff base hydrazone SBH compound