Chemistry can be defined as the study of matter and the changes it undergoes. You’ll sometimes hear it called the central science because it is the connection between physics and all the other sciences, starting with biology. 7524-50-7, Name is H-Phe-OMe.HCl, molecular formula is , belongs to phthalazine compound. In a document, author is Piryaei, Forozan, SDS of cas: 7524-50-7.
The synthesis of 1H-indazolo[1,2-b]phthalazine-1,6,11(13H)-trione derivatives, using one-pot three-component condensation reaction of 3-nitrophthalic anhydride, hydrazine monohydrate, dimedone, and aromatic aldehydes in the presence of ZrO(NO3)(2).2H(2)O as the novel catalyst and in reflux conditions in EtOH was reported. Quantum theoretical calculations for three structures of compounds (5a, 5b, and 5c) were performed using the Hartree-Fock (HF) and density functional theory (DFT). From the optimized structure, geometric parameters were obtained and experimental measurements were compared with the calculated data. The structures of the products were confirmed by IR, H-1 NMR, C-13 NMR, mass spectra, and elemental analyses. The IR spectra data and H-1 NMR and C-13 NMR chemical shift computations of the 1H-indazolo[1,2-b]phthalazine-1,6,11(13H)-trione derivatives in the ground state were calculated. Frontier molecular orbitals (FMOs), total density of states (DOS), thermodynamic parameters, and molecular electrostatic potential (MEP) of the title compounds were investigated by theoretical calculations. Molecular properties such as the ionization potential (I), electron affinity (A), chemical hardness (eta), electronic chemical potential (mu), and electrophilicity (omega) were investigated for the structures. Thus, there was an excellent agreement between experimental and theoretical results.
Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 7524-50-7, in my other articles. SDS of cas: 7524-50-7.
Reference:
Phthalazine – Wikipedia,
,Phthalazine | C8H6N2 – PubChem