The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 3-Methyl-1H-pyrrole( cas:616-43-3 ) is researched.Recommanded Product: 3-Methyl-1H-pyrrole.Nguyen, Thuy; Stahl, Wolfgang; Nguyen, Ha Vinh Lam; Kleiner, Isabelle published the article 《14N nuclear quadrupole coupling and methyl internal rotation in 3-methylpyrrole investigated by microwave spectroscopy》 about this compound( cas:616-43-3 ) in Journal of Molecular Spectroscopy. Keywords: methylpyrrole nuclear quadrupole coupling. Let’s learn more about this compound (cas:616-43-3).
The mol. structure of 3-methylpyrrole in the gas phase has been determined using a combination of high-resolution spectroscopy and quantum chem. calculations The rotational spectrum was recorded using a mol. jet Fourier transform microwave spectrometer covering the frequency range from 2.0 to 26.5 GHz. The exptl. data were analyzed using the programs XIAM and BELGI-Cs-hyperfine. Because the internal rotor axis accidentally lies along the principal a-axis of inertia, the rho axis system and the principal axis system coincide, enabling a direct comparison of the fits. With the program XIAM, the rotational constants A = 8631.1629(12), B = 3342.19750(43), and C = 2445.73846(42) MHz were obtained. Torsional splittings due to internal rotation of the Me group were observed, leading to the determination of the V3 potential of 245.92445(31) cm-1. Hyperfine splittings arising from the nuclear quadrupole coupling of the 14N nucleus could be resolved, and the quadrupole coupling constants χaa = 1.4159(49) and χbb – χcc = 4.1622(86) MHz were found.
As far as I know, this compound(616-43-3)Recommanded Product: 3-Methyl-1H-pyrrole can be applied in many ways, which is helpful for the development of experiments. Therefore many people are doing relevant researches.
Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate