Manganese Dioxide Mediated Stereoselective, One-step Synthesis of Novel Steroidal (6R)-Spiro-1’,2’,4’-triazoline-3’-thiones

Oxidative cyclization of 5α-cholestan-6-one thiosemicarbazone (1), its 3β-chloro (2) and 3β-acetoxy (3) analogues with active manganese dioxide at room temperature afforded selectively the corresponding (6R)-spiro-1’,2’,4’-triazoline-3’-thiones 4—6. This synthesis has the advantages of mild reaction conditions, easy handling, easily available reagent and high yields. The products have been characterized by analytical and spectral data.     

Morphological,thermal, and conductivity studies of poly(methyl methacrylate)/polyaniline dodecylbenzenesulfonate blends

Soluble in organic solvent polyaniline (PANI) was prepared using DBSA as a functional dopant. Miscibility was maximized for PMMA with hydroquinone. Transmission electron micrographs showed lowest level of phase separation. Thermal studies by differential scanning calorimetry show some peak shifts which indicate the miscibility of two polymers. The formations of new bonds are also confirmed by Fourier transformation infrared spectroscopy. Electroconductivity increased with increase of content of doped PAN1, showing percolation threshold at 3 wt %.     

Diethyl 1-(p-fluoro­phenyl)-5-oxo-3-(2-thienyl)­pyrrolidine-2,2-di­carboxyl­ate

In the title compound, C₂₀H₂₀FNO₅S, the pyrrolidine ring adopts an envelope conformation. The fluoro­phenyl and thio­phene rings are individually planar. The molecular and crystal structures are stabilized by intra- and intermolecular C—H⋯O interactions.     

Density, Viscosity, Refractive Index, and Speed of Sound in Binary Mixtures of Pyridine and 1-Alkanols (C6, C7, C8, C10) at 303.15 K

The densities (ρ), viscosities (η), refractive indices (nD), and speeds of sound (u), of binary mixtures of pyridine with 1-hexanol, 1-heptanol, 1-octanol and 1-decanol, including those of pure liquids, were measured over the entire composition range at 303.15 K and atmospheric pressure. From these experimental data, the values of excess molar volumes (VE), deviations in isentropic compressibilities (Δks), viscosities (Δh), molar refractions (ΔRm), apparent and partial molar volumes (Vf,2 and ), apparent and partial molar compressibilities (Kf,2 and ), of alkanols in pyridine and their corresponding deviations (ΔV and ΔK) were calculated. The variations of these parameters with composition of the mixtures suggest that the strength of interactions in these mixtures follow the order: 1-hexanol＞1-heptanol＞1-octanol＞1-decanol. All the excess and deviation functions were fitted to Redlich-Kister polynomial equation to determine the fitting coefficients and the standard deviations.     

Spectral Studies and Cathodic Reduction of some Thiazolylazo Derivatives

The structure of the 2-thiazolylazosalicylic acid molecule, TAS, has been determined by means of quantum SCF-CI calculations. The ionization potential and the electron affinity of TAS molecule were calculated to have the values 9.057 and 2.56 eV respectively. The solvation energies in different solvents, and the bond orders of the TAS molecule were calculated for the neutral state, the oxidized form (the cation) and the reduced form (the anion). Mixed solvent studies were carried out with TAS and 2-benzothiazolylazosalicylic acid (BTAS), using polar solvents (EtOH and MeOH) to confirm the formation of a solvent-solute complex. The azo group in the TAS molecule nas a considerable contribution in the SCFLUMO; thus cathodic reduction has been focused on the azo group and was verified experimentally by cathodic reduction.     

Synthesis,Characterization and Crystal Structure of Some Novel 1‐Aryl‐2‐Thioxo‐2,3‐Dihydro‐1H‐Quinazolin‐4‐Ones

The base catalyzed intramolecular nucleophilic cyclization of 1‐(2‐haloaroyl)‐3‐aryl thioureas ( 1a‐i ), in the presence of DMF afforded the 1‐aryl‐2‐thioxo‐2,3‐dihydro‐1H‐quinazolin‐4‐ones ( 2a‐i ). The structures were confirmed by spectroscopic data, elemental analyses and in case of the 2c by single crystal X‐ray diffraction data. The mechanistic studies support an intramolecular nucleophilic substitution (S_NAr mechanism) rather than intramolecular aromatic substitution (S_RN1 mechanism).     

Synthesis,crystal structure,and antimicrobial studies of <Emphasis Type="Italic">trans</Emphasis>-[Pd(PPh<Subscript>3</Subscript>)<Subscript>2</Subscript>(imidazolidine-2-thione)<Subscript>2</Subscript>]Cl<Subscript>2</Subscript> · 3.5H<Subscript>2</Subscript>O

The palladium(II) complex, [Pd(PPh₃)₂(Imt)₂]Cl₂ · 3.5H₂O (I) (Imt = imidazolidine-2-thione), has been synthesized and characterized by IR, NMR, and X-ray crystallography. An upfield shift in the >C=S resonance of Imt in the ¹³C NMR spectrum and a downfield shift in the N-H resonance in ¹H NMR are consistent with the sulfur coordination of Imt to palladium(II). In the crystal structure of I, the central palladium atom is coordinated to two thione sulfur atoms of Imt and to two phosphorus atoms possessing a square-planar environment with the average cis and trans bond angles of 89.60° and 167.31°, respectively. The title complex was screened for antimicrobial effects, and the results showed that it exhibits moderate activities against gram-negative bacteria (E. coli, P. aeruginosa). The complexes also exhibited significant activities against yeast (C. albicans, S. serevisaiae).     

Synthesis and antimicrobial activity of some novel 2-(substituted fluorobenzoylimino)-3-(substituted fluorophenyl)-4-methyl-1,3-thiazolines

The synthesis of several 2-(substituted fluorobenzoylimino)-3-(substituted fluorophenyl)-4-methyl-1,3-thiazolines (2a-t) was carried out by base-catalyzed cyclization of corresponding 1-(fluorobenzoyl)-3-(fluorophenyl)thioureas (1a-t) with 2-bromoacetone in aqueous medium. The structures of the synthesized compounds were confirmed by spectral and elemental analysis. All synthesized compounds were evaluated for in vitro antibacterial activity using Gram-positive bacteria (Staphylococcus aureus, Bacillus subtilis) and Gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa). The minimum inhibitory concentration (MIC) was determined for the most active compounds. In vitro antifungal activity was also determined against the five fungal species (Rhizopus oryzae, Fusarium oxysporum, Aspergillus terreus, A. niger and A. fumigatus).