Prop-2-ynyl 3-meth-oxy-4-(prop-2-yn-yloxy)benzoate.

The title compound, C14H12O4, comprises of two crystallographically independent mol-ecules in the asymmetric unit, linked via C-H⋯O inter-actions to form dimeric entities. The allylic groups are twisted out of the phenyl planes with dihedral angles varying between 7.92 (13) and 25.42 (8)°. In the crystal, the packing follows a zigzag pattern along the c-axis direction. The absolute configuration of the sample could not be determined reliably.

1,2,3-triazole and chiral Schiff base hybrids as potential anticancer agents: DFT, molecular docking and ADME studies.

A series of novel 1,2,3-triazole and chiral Schiff base hybrids 2-6 were synthesized by Schiff base condensation reaction from pre-prepared parent component of the hybrids (1,2,3-triazole 1) and series of primary chiral amines and their chemical structure were confirmed using NMR and FTIR spectroscopies, and CHN elemental analysis. Compounds 1-6 were evaluated for their anticancer activity against two cancer PC3 (prostate) and A375 (skin) and MRC-5 (healthy) cell lines by Almar Blue assay method. The compounds exhibited significant cytotoxicity against the tested cancer cell lines. Among the tested compounds 3 and 6 showed very good activity for the inhibition of the cancer cell lines and low toxicity for the healthy cell lines. All the compounds exhibited high binding affinity for Androgen receptor modulators (PDB ID: 5t8e) and Human MIA (PDB ID: 1i1j) inhibitors compared to the reference anticancer drug (cisplatin). Structure activity relationships (SARs) of the tested compounds is in good agreement with DFT and molecular docking studies. The compounds exhibited desirable physicochemical properties for drug likeness.

Lanthanum-1,2,3-Triazole-Based 2D Coordination Polymer is an Efficient Catalyst for the Oxidation of Olefins.

A new two-dimensional (2D) coordination polymer (CP) [La(C18H14N3O6)2(H2O)(OH)]n has been prepared from a 1,2,3-triazole linker and lanthanum nitrate hexahydrate in DMF. The La-CP was characterized by single-crystal X-ray crystallography, highlighting the binding motif at La ions and the fact that the material contains channels with entrapped solvent. The CP showed good catalytic activity for the oxidation of a wide variety of olefins (linear, cyclic, aromatic, and functionalized alkenes) to aldehydes. Mechanistic studies show that the oxidation reaction proceeds via a non-free-radical mechanism. The catalyst could be recovered and reused five times without major changes in activity for the oxidation of styrene to benzaldehyde.

Evaluation of the Influence of thiosemicarbazone-triazole hybrids on genes implicated in lipid oxidation and accumulation as potential anti-obesity agents.

A series of thiosemicarbazone-triazole hybrids 1a-h are efficiently synthesised and evaluated for their influence on the expression of genes, cpt-1, acc-1 and pgc-1, which are essential in lipid metabolism. The test results show that hybrids 1c and 1g exhibited relatively high influence on the expression of cpt-1 and pgc-1 and suppression of acc-1 as desired.

2-[(3-Oxo-1-benzofuran-6-yl)-oxy]aceto-nitrile.

The mol-ecule of the title compound, C11H8O3, is essentially planar [r.m.s. deviation = 0.025 (2) Å]. In the crystal, mol-ecules are stacked along [110] but no short π-π contacts are observed. Weak C-H⋯O inter-actions link the mol-ecules into chains along [101].

S-Phenyl benzothio-ate.

In the title compound, C(13)H(10)OS, the phenyl rings are inclined to one another by 51.12 (8)°. There is a short C-H⋯S contact in the molecule.In the crystal, molecules are linked via C-H⋯O hydrogen bonds forming chains along the a axis. Molecules are also linked by C-H⋯π and weak π-π interactions [centroid-centroid distance = 3.9543 (10) Å].

2-(2-Hy-droxy-propan-2-yl)-6-(prop-2-yn-yloxy)-1-benzofuran-3(2H)-one.

In the title compound, C14H14O4, the prop-2-yn-yloxy O-C-C C plane [maximum deviation = 0.0116 (12) Å] forms a dihedral angle of 78.44 (9)° with the benzofuran-3(2H)-one ring system. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, forming a tape along the a-axis direction. C-H⋯O inter-actions are observed between the tapes.

N-[4-(2-Propyn-1-yl-oxy)phen-yl]acetamide.

The title compound, C(11)H(11)NO(2), was synthesized by chemoselective N-acetyl-ation of 4-amino-phenol followed by reaction with propargyl bromide in the presence of K(2)CO(3). the acetamide and propyn-1-yloxy substituents form dihedral angles of 18.31 (6) and 7.01 (10)°, respectively, with the benzene ring. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds into chains along [010]. C-H⋯O and C-H⋯π inter-actions also occur.