3 research outputs found
Selective Synthesis of 2‑Substituted and 1,2-Disubstituted Benzimidazoles Directly from Aromatic Diamines and Alcohols Catalyzed by Molecularly Defined Nonphosphine Manganese(I) Complex
Herein,
we present a selective synthesis of 2-substituted and 1,2-disubstituted
benzimidazoles by acceptorless dehydrogenative coupling of aromatic
diamine with primary alcohols. The reaction is catalyzed by a phosphine-free
tridentate NNS ligand-derived manganeseÂ(I) complex
Selective Synthesis of 2‑Substituted and 1,2-Disubstituted Benzimidazoles Directly from Aromatic Diamines and Alcohols Catalyzed by Molecularly Defined Nonphosphine Manganese(I) Complex
Herein,
we present a selective synthesis of 2-substituted and 1,2-disubstituted
benzimidazoles by acceptorless dehydrogenative coupling of aromatic
diamine with primary alcohols. The reaction is catalyzed by a phosphine-free
tridentate NNS ligand-derived manganeseÂ(I) complex
FT-IR, UV–visible, and NMR Spectral Analyses, Molecular Structure, and Properties of Nevadensin Revealed by Density Functional Theory and Molecular Docking
<p>Nevadensin 2-(4-methoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4<i>H</i>-1-benzo-pyran-4-one] is a natural bioactive flavonoid compound that has the potential to become a novel “natural lead” in the field of drug discovery program. The molecular structure, vibrational frequencies, and corresponding vibrational assignment of nevadensin have been investigated experimentally and theoretically by employing the B3PW91/6–311++G(d,p) method. The fundamental vibrational wave numbers as well as their intensities were calculated, and a good correlation between experimental and scaled calculated wave numbers had been accomplished. The ultraviolet spectrum of the studied molecule was recorded in the region 200–500 nm, and the electronic properties were predicted by the time-dependent density functional theory approach. <sup>1</sup>H and <sup>13</sup>C NMR spectra have been calculated by employing the gauge-independent atomic orbital method. Nevadensin has been reported to exhibit antimicrobial activities against both Gram-positive and Gram-negative bacteria and also against the fungal pathogens, highlighting the pharmacological importance of the molecule.</p