(E,E)-2-[3,4-Bis(4-methyl­benzyl­idene)-5-oxotetra­hydro­furan-2-yl­idene]propane­dinitrile

In the title mol­ecule, C23H16N2O2, the two exocyclic C=C bonds bearing the tolyl groups have an E configuration and the beznene rings are oriented at 22.1 (1) and 24.8 (1)° with respect to the mean plane of the atoms of the furan ring

Diethyl 3H-naphtho[2,1-b]pyran-2,3-dicarboxyl­ate

The sp 3-hybridized methine C atom in the title compound, C19H18O5, lies out of the mean plane of the remaining 13 atoms of the naphthopyran fused-ring system by 0.571 (1) Å, and its H atom occupies a pseudo-equatorial site

4-[(2-Hydr­oxy-1-naphth­yl)methyl­idene­amino]benzoic acid

The mol­ecule of the title compound, C18H13NO3, is almost planar, the dihedral angle between the naphthalene and benzene ring systems being 4.04 (6)°. The mol­ecular conformation and packing are stabilized by intra­molecular O—H⋯N and inter­molecular O—H⋯O and C—H⋯O inter­actions

Green synthesis, antibacterial activity and computational study of pyrazoline and pyrimidine derivatives from 3-(3,4-dimethoxy-phenyl-1-(2,5-dimethyl-thiophen-3-yl)-propenone

Various pyrazoline and pyrimidine derivatives were synthesized by the reaction of thiosemicarbazide / phenyl hydrazine / hydrazine hydtate / thiourea / urea with 3-(3,4-dimethoxy-phenyl-1-(2,5-dimethyl-thiophen-3-yl)-propenone under microwave irradiation, which itself was derived from the reaction of 3-acetyl-2,5-dimethylthiophene with 3,4-dimethoxy benzaldehyde. The corresponding pyrazoline and pyrimidine derivatives were obtained in good to excellent yields. All of the new compounds obtained were characterized by IR, 1H NMR, 13C NMR, MS and elemental analyses. The anti-bacterial activity of these compounds were tested in-vitro by the disk diffusion assay against two Gram-positive and two Gram-negative bacteria. The results showed that one of the pyrazoline derivatives is better at inhibiting the growth as compared to chloramphenicol against both types of the bacteria (Gram-positive and Gram-negative). Furthermore, all the molecules were subjected to computational calculation using the density functional theory with B3LYP method to corroborate their antibacterial activities

Ethyl 5-acetyl-2-amino-4-methyl­thio­phene-3-carboxyl­ate

In the title compound, C10H13NO3S, prepared in a one-pot reaction, the mol­ecular conformation is stabilized by an intra­molecular N—H⋯O hydrogen bond. The packing is consolidated by further N—H⋯O links. The H atoms of two of the methyl groups are disordered over two sets of sites with equal occupancies

Synthesis of some new fluorine substituted thiobarbituric acid derivatives as anti HIV1 and cyclin-dependent kinase 2 (CDK2) for cell tumor division: Part I

New potential enzyme inhibitors, fluorine-substituted thiobarbituric acid derivatives (2, 3, 9, 8 and 12) and their fused/isolated heterocyclic nitrogen systems (5, 6, 10 and 14) have been obtained from heterocyclization of fluorinated N, Nʹ-disubstituted thiourea (1, 7 and 11) with malonic acid followed by ring closure reactions with primary nitrogen reagents. Structures of the synthesized products have been deduced from their elemental analysis and spectral data. Anti-HIV-1 and inhibition of cyclin-dependent kinase2 (CDK2) for cell tumor division for the synthesized compounds were also evaluated

Green synthesis of novel pyrazole containing Schiff base derivatives as antibacterial agents on the bases of in-vitro and DFT

A series of pyrazole containing Schiff bases were synthesized, by the reaction of 3,5-dimethyl-1-phenylpyrazole-4-carboxaldehyde and the corresponding active amines under microwave irradiation. The structures of the synthesized compounds were established by spectroscopic data (FT-IR, 1H NMR, 13C NMR and ESI-MS) and elemental analyses. The anti-bacterial activity of these compounds were tested in vitro by the disc diffusion assay against two Gram-positive and two Gram-negative bacteria, and then the minimum inhibitory concentration using chloramphenicol as reference drug. All the molecules were modeled and optimized by using density functional theory, DFT/B3LYP method. Calculated descriptors, the lower unoccupied molecular orbital and the density were used to interpret the antibacterial activity of the compounds. The results showed that compound 3 is better inhibitor of both types of test bacteria as compared to chloramphenicol