Add time:07/15/2019         Source:sciencedirect.com

The title compounds, 1-[2-(5-methyl-2-benzoxazolinone-3-yl)acetyl]-3-phenyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole (5a) and 1-[2-(5-chloro-2-benzoxazolinone-3-yl)acetyl]-3-phenyl-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole (5b), were synthesized. The crystal and molecular structures of 5a and 5b have been determined by elemental analyses, IR, 1H NMR, ESI-MS and single-crystal X-ray diffraction. Molecular geometries of 5a and 5b in the ground state have been calculated using the density functional method (DFT) with B3LYP/6-31G(d,p) basis set and compared with the experimental data. In addition, the molecular electrostatic potential maps and frontier molecular orbitals of 5a and 5b were performed.

We also recommend Trading Suppliers and Manufacturers of 5-chloro-1-(2-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide (cas 98533-33-6). Pls Click Website Link as below: cas 98533-33-6 suppliers