5-Iodo-3-phenyl-2,1-benzoxazole

The title compound, C13H8INO, was prepared by a condensation reaction of 4-nitrobenzene with phenylacetonitrile in NaOH–ethanol solution. There are two independent molecules in the asymmetric unit, in which the dihedral angles between the benzene ring and the benzoisoxazole unit are 4.2 (3) and 4.1 (3)°. The crystal packing is governed by C—H...N, C—I...π and C—I...O interactions

Spectrophotometric Determination of Palladium(II) Ions Using a New Reagent: 4-(N’-(4-Imino-2-oxo-thiazolidine-5-ylidene)-hydrazino)-benzoic Acid (p-ITYBA)

The simple, rapid spectrophotometric method for palladium(II) ions determination using a new analytical reagent is described. The interaction of Pd(II) ions with a reagent, of the class of azolidones, 4-(N′-(4-imino-2-oxo-thiazolidine-5-ylidene)-hydrazino)-benzoic acid, in water medium results in the formation of a complex. The Pd(II)-p-ITYBA complex shows maximum absorbance at a wavelength of 450 nm. The molar absorptivity is 4.30 × 103 L·mol−1·cm−1. The optimal pH for complex formation is 7.0. The developed method has a wide linearity range of 0.64–10.64 µg·mL−1 for Pd(II). The detection limit is 0.23 µg·mL−1. It was found that Co(II), Ni(II), Zn(II), Fe(III), Cu(II), Al(III), and many anions do not interfere with the Pd(II) determination. The proposed method was tested in the analysis of model solutions and successfully applied for the determination of palladium in catalyst. The obtained results show that this method can be used for serial determinations of palladium in various objects

New Convenient Strategy for Annulation of Pyrimidines to Thiophenes or Furans via the One-pot Multistep Cascade Reaction of 1<i>H</i>‑Tetrazoles with Aliphatic Amines

A versatile, convenient, efficient and high-yield synthetic method for 2-R³,R⁴-amino-5-R¹-6-R²-thieno­[2,3-<i>d</i>]­pyrimidin-4­(3<i>H</i>)-ones, 2-R³,R⁴-amino-5-R¹-6-R²-thieno­[3,2-<i>d</i>]­pyrimidin-4­(3<i>H</i>)-ones, and benzofuro­[3,2-<i>d</i>]­pyrimidin-4­(3<i>H</i>)-ones preparation has been developed. The reaction proceeded without using solvents and included several steps. A variety of thieno­[2,3-<i>d</i>]­pyrimidine and thieno­[3,2-<i>d</i>]­pyrimidine derivatives with substituents of different nature were obtained in high yields from substituted alkyl 2-(1<i>H</i>-tetrazol-1-yl)­thiophene-3-carboxylates, 3-(1<i>H</i>-tetrazol-1-yl)­thiophene-2-carboxylates, and 3-(1<i>H</i>-tetrazol-1-yl)­benzofuran-2-carboxylate after their treatment with aliphatic amines

Synthesis, Biological Evaluation and Molecular Docking Studies of 5-Indolylmethylen-4-oxo-2-thioxothiazolidine Derivatives

Background: Infectious diseases represent a significant global strain on public health security and impact on socio-economic stability all over the world. The increasing resistance to the current antimicrobial treatment has resulted in the crucial need for the discovery and development of novel entities for the infectious treatment with different modes of action that could target both sensitive and resistant strains. Methods: Compounds were synthesized using the classical organic chemistry methods. Prediction of biological activity spectra was carried out using PASS and PASS-based web applications. Pharmacophore modeling in LigandScout software was used for quantitative modeling of the antibacterial activity. Antimicrobial activity was evaluated using the microdilution method. AutoDock 4.2® software was used to elucidate probable bacterial and fungal molecular targets of the studied compounds. Results: All compounds exhibited better antibacterial potency than ampicillin against all bacteria tested. Three compounds were tested against resistant strains MRSA, P. aeruginosa and E. coli and were found to be more potent than MRSA than reference drugs. All compounds demonstrated a higher degree of antifungal activity than the reference drugs bifonazole (6–17-fold) and ketoconazole (13–52-fold). Three of the most active compounds could be considered for further development of the new, more potent antimicrobial agents. Conclusion: Compounds 5b (Z)-3-(3-hydroxyphenyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxothiazolidin-4-one and 5g (Z)-3-[5-(1H-Indol-3-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-benzoic acid as well as 5h (Z)-3-(5-((5-methoxy-1H-indol-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid can be considered as lead compounds for further development of more potent and safe antibacterial and antifungal agents