1403580-83-5Relevant academic research and scientific papers
Experimental and Theoretical Studies of 4-(1-benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-6-(2,4-dichlorophenyl)pyrimidin-2-amine: A Potential Antibacterial Agent
Murugavel,Madhanraj,Prasanna Kumar, D. K. Andrew,Nagarajan, Sangaraiah,Ponnuswamy, Alagusundaram
, p. 974 - 983 (2015/11/28)
The title compound (1), 4-(1-benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-6-(2,4-dichlorophenyl)pyrimidin-2-amine (C20H16Cl2N6), was synthesized and structurally characterized by elemental analysis, 1H NMR and 13C NMR and single crystal X-ray diffraction. The compound crystallizes as a colourless needle shaped in the triclinic system, space group P-1 with cell constants: a = 10.7557(11) ?, b = 12.7078(17) ?, c = 15.511(2) ?, α = 68.029(4)0, β = 86.637(5)0, γ = 87.869(4)0; V = 1962.4 (4) ?3, Z = 4. There are two structurally similar but crystallographically independent molecules (A and B) in the asymmetric unit of the title compound, which is linked via N-H...Cl hydrogen bond. An intramolecular C-H...N hydrogen also occurs in each molecule. In the crystal, each of independent molecules forms a centrosymmetric dimer with an R22(8) ring motifs through a pair of N-H...N hydrogen bonds. These dimers are further connected by intermolecular N-H...Cl and C-H...Cl hydrogen bonds, forming an infinite two dimensional supramolecular network lying parallel to the [010] plane. The molecular geometry was also optimized using density functional theory (DFT/B3LYP) method with the 6-311G (d, p) basis set and compared with the experimental data. Mulliken population analyses on atomic charges, HOMO-LUMO energy levels, Molecular electrostatic potential and chemical reactivity of the title compound were investigated by theoretical calculations. The thermo dynamical properties of the title compound at different temperature have been calculated and corresponding relations between the properties and temperature have also been obtained. The in vitro antibacterial activity has been screened against Gram-positive (Bacillus cerus and Staphylococcus epidermidis) and Gram-Negative (Escherichia coli, Acinetobacter baumannii and Proteus vulgaris). The results revealed that the compound exhibited good to moderate antibacterial activity.
A facile synthesis of 1,2,3-triazolyl indole hybrids via SbCl3-catalysed Michael addition of indoles to 1,2,3-triazolyl chalcones
Shanmugavelan, Poovan,Sathishkumar, Murugan,Nagarajan, Sangaraiah,Ponnuswamy, Alagusundaram
, p. 941 - 950 (2012/11/13)
An efficient, facile and environmentally benign synthesis of a library of 1,2,3-triazolyl chalcone hybrids (3a-u) has been accomplished by grinding the reactants at room temperature in excellent yields in very short reaction time. Subsequently, SbCl3 catalysed Michael addition of indoles to the chalcones afford 1,2,3-triazolyl indole hybrids (5a-l) in excellent yields. Indian Academy of Sciences.
Facile water promoted synthesis of 1,2,3-triazolyl dihydropyrimidine-2- thione hybrids - Highly potent antibacterial agents
Sangaraiah, Nagarajan,Murugan, Sathishkumar,Poovan, Shanmugavelan,Raja, Ranganathan,Alagusundaram, Ponnuswamy,Ramakrishnan, Venkatesan,Vellasamy, Shanmugaiah
, p. 464 - 469 (2013/02/23)
An elegant and efficient synthesis of hitherto novel 1,2,3-triazolyl dihydropyrimidine-2-thione hybrids has been accomplished for the first time in a green solvent viz. water. The hybrid molecules exhibit significant antibacterial activity when screened against four human pathogens viz. Streptococcus pneumonia, Staphylococcus aureus, Pseudomonas aeruginosa and Salmonella typhi. In comparison to the commercially marketed tetracycline, some of them were equally potent and a few more potent.
