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WOS: 000260410900005 In this work we present the synthesis 4-[(2-{[(1E)-1-methyl-3-oxobutylidene] amino} ethyl)imino]pentan-2-one. We also propose evidence for the presence of various tautomers for this molecule, and theoretical density functional theory (DFT)-B3LYP/6-31G* calculations to characterize the potential energy surface of these species. NMR, IR, MS techniques and X-ray are also used to analyze the molecule 3 and its tautomeric preferential form.

We report herein the design and synthesis of 17 new spiroheterocycles 10-26, on the basis of two hypothetical pharmacophore structures designed to interact with both of Mycobacterium tuberculosis bacteria and HIV-1 virus. The in vitro biological evaluation of these compounds allowed us to point out seven new potential non-nucleoside hits, with MIC values in the range of 6.25 mu g/mL and two new potential anti-HIV-1 inhibitors.

Synthesis of a series of fourteen novel 2,3',4'-tri-subsituted-1,2-dihydro-4H,4'H- spiro(isoquinoline-3,5'-isoxazol)-4-ones was accomplished in good yield by regio and stereoselective 1,3-dipolar cycloaddition of p-R 2 -benzadoxime 4-8 with dipolarophiles (3Z)-3- ((4-substituted-phenyl)methylidene)-2-phenyl-2,3-dihydroisoquinolin-4(1H)-ones 1-3. The structure of the isolated products 9-23 was established through different spectroscopic techniques. X-Ray crystal structure analysis of one of the products confirms the structure and the selective region and stereochemistry of this cycloaddition. Their antitubercular activity is also evaluated.

Two novel ligand pyrazole derivatives AH and BH (AH = ((3,5-dimethyl-1H-pyrazole-1- yl)methyl)amino acetic acid, BH = (bis-(3,5-dimethyl-1H-pyrazole-1-yl)methyl)amino acetic acid) formed simultaneously by the condensation of N-hydroxy methyl-3,5-pyrazole (1) with glycine (CH3COOH) and their cobalt(II) or copper(II) mixed ligand complex, with 3,5-dimethyl- 1H-pyrazole (Pz) have been synthesized and characterized by spectroscopic analysis and X-ray diffraction study. Distorted square pyramidal geometry is observed around copper(II) with two nitrogens (N1, N3 of AH) in the first plane and third nitrogen (N4 of one pyrazolic ligand) and two oxygen atoms (O4 and O1) in the second plane. In contrast to Cu(II) cation which coordinates with ligand AH, the Co(II) cation prefers to coordinate with the second ligand BH.

Synthesis of a series of fourteen novel 2,2',4',5'-tetra-substituted-1,2,2',4'-tetrahydro-4H- spiro(isoquinoline-3,3'-pyrazol)-4-ones was accomplished in good yield by regio and steroselective 1,3-dipolar cycloaddition of α-chloro-aryliden-phenylhydrazones with (3Z)-3- (arylidene)-2-phenyl-2,3-dihydroisoquinolin-4(1H)-ones 4-8 with dipolarophiles ((3Z)-2-phenyl- 3-(p-R 1 -phenyl)-2,3-dihydroisoquinolin-4(1H)-ones) 1-3. The structure of the isolated products 9-22 was established through different spectroscopic techniques. X-ray crystal structure analysis of one of the products confirms the structure and the selective region and stereochemistry of this cycloaddition. Their antitubercular activity is evaluated.

Two new simple bis-bidentate ligands N-(2-pyridinylmethyl)-N-((E)-(4-((2- pyridinylmethyl)imino)methylphenyl)methylidene)amine and 4-methyl-N-((E)-(4-((4-methyl-2- pyridinyl)imino)methylphenyl)methylidene)-2-pyridinamine were prepared in good yield by condensation of readily available and inexpensive chemicals; 2-amino-methylpyridine 2 or 2- amino-para-methyl-pyridine 4 with terephthaladehyde 1. The synthesis and characterization of these two polydentate ligands are described. The thermo-stability of both compounds 3 and 5 has been calculated.