CAS 3463-26-1: 1-methyl-3-phenyl-1H-pyrazole

1-Methyl-3-phenyl-1H-pyrazole is an agriculturally useful compound that can be used as an intermediate in the synthesis of pesticides. 1-Methyl-3-phenyl-1H-pyrazole has two different orientations with respect to the pyrazole ring, which gives rise to two isomers. The cis form is a photoelectron acceptor and the trans form is a photoelectron donor. The molecular orbitals of 1-methyl-3-phenylpyrazole are energetically similar to those of other pyrazoles. The difference lies in the orientation of the nitrogen atom, which makes it unsymmetrical. It also has a sulfate group and a dihedral angle of 60°. 1,2,4,5,6-Pentafluoroalkyl and pyrazolyl groups have been found on this molecule.

Applications 1-methyl-3-phenyl-1H-pyrazole is a useful research reagent for the synthesis of bioactive important small molecules. References Blum, L. C., et al.: J. Chem. Inf. Model., 51, 3105 (2011); Koronatov, A. N., et al.: J. Org. Chem., 83, 210 (2018)