CAS 4838-00-0: 2-methyl-2H-indazole

2-Methyl-2H-indazole (2MI) is a methylated analog of 2H-indazole. The compound has been used to study the interaction between myoglobin and nitro groups. It has been shown that protonation of the alkylthio group in 2MI results in repulsions with other protons, which can be observed in the NMR spectra. Electrospray ionization studies have shown that this compound exists as two tautomers, one with a C1-C6 alkoxy group, the other without. Density functional theory calculations have shown that 2MI is more stable than its unsubstituted form due to its electron distribution around the central carbon atom. Diffraction patterns obtained from crystalline samples showed that 2MI's crystal structure consists of alternating stacked planar sheets and three dimensional helices.

2-Methyl-2H-indazole