The Brønsted acidic ionic liquid ([BMIm]HSO4) catalyzed three-component synthesis of 2H-indazolo[2,1-b]phthalazine-trione derivatives at room temperature. The integrity of the ionic liquid remains reasonably unchanged when it is separated from the reaction mixture by water extraction, as it can be recycled several times without any loss of activity in each of the title syntheses. The products a...

Quinazoline, quinoxaline and phthalazine are nitrogen containing heterocyclic aromatic molecules which belong to the class diazanaphthalenes. These isomers have low-lying nπ* and naphthalene-like ππ* states that interact via spin-orbit coupling. In this contribution, we study their structure and electronic states by means of a coupled-cluster method. The computed properties are compared to thos...

Ab initio calculations at the level of CASPT2 with Dunning's correlation consistent cc-pVXZ (X=D, T, Q) basis sets have been carried out for pyrimidine, quinoxaline, phthalazine, and their substituted compounds to find candidates that show a change in the direction of the electric dipole moment for the S(0)-->S(1) transition. The present calculations reveal that 6,7-difluorophthalazine and 6,7-...

In the title mol-ecule, C(26)H(26)N(2)O, the phenyl and phen-oxy rings form dihedral angles of 54.66 (7) and 84.83 (6)°, respectively, with the phthalazine mean plane. The crystal packing exhibits weak C-H⋯π inter-actions.

In the crystal structure of the title compound, C(17)H(10)N(4)O(5), the mol-ecules lie on twofold axes (through the ketone bridge C and O atoms). The dihedral angle between the two phthalazine rings is 52.25 (1)°. In the crystal, inter-molecular N-H⋯O and O-H⋯O inter-actions link the mol-ecules.

The condensation of 2-carb-oxy-benzaldehyde with 1,2-phenyl-enediamine unexpectedly yielded the title compound, C(22)H(14)N(2)O(4)·CH(4)O. The benzimidazole ring system is almost perpendicular to the phthalazine ring system, making a dihedral angle of 88.4 (5)°. Inter-molecular O-H⋯N and O-H⋯O hydrogen-bonding inter-actions stabilize the crystal structure.

a group of 1,3-biarylhydrazide derivatives possessing a cox-2 azido pharmacophore at the para- position of the c-1 phenyl ring in conjunction with a n-3 phenyl or substituted-phenyl ring (4-f,4-cl,4-ome) were designed and synthesized based on nucleophilic substitution reaction. a molecular modelling study of these compounds showed that the designed molecules were well bound with the active site...