Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 2208-59-5, is researched, SMILESS is C1(C2=CC=NC=C2)=NC3=CC=CC=C3N1, Molecular C12H9N3Journal, Journal of Physical Chemistry C called Interplay of Hydrophobic and Electrostatic Interactions in Modulation of Protonation-Deprotonation Equilibria of Two Positional Isomers in Their Complexes with Cucurbiturils, Author is Khorwal, Vijaykant; Nudurupati, Uma; Mondal, Sohidul Islam; Datta, Anindya, the main research direction is interplay hydrophobic electrostatic modulation; protonation deprotonation equilibrium positional isomer complex cucurbituril.SDS of cas: 2208-59-5.
Elucidation of host-guest chem. of 2-(4′-pyridyl)benzimidazole (4PBI) and 2-(2′-pyridyl)benzimidazole (2PBI) with cucurbiturils in aqueous solution is rather challenging. The guest mols. are capable of binding in three different states of protonation: cation C, tautomer T, and normal N. Charge distribution on the species governs the formation of the inclusion complexes. Binding modes of the guest mols. with cucurbiturils were investigated by proton NMR spectroscopy. 4PBI binds with its benzimidazole ring pointing inward, while the binding mode is opposite for 2PBI. This difference is governed by the position of substitution of the pyridyl ring. Energetics of complexation was studied by quantum chem. calculations for 4PBI-CB as 2PBI-CB type complexes, for each form (C, T, and N) of both the mols. Release of high energy water from cucurbituril cavity is the main driving force for complexation. Excited state proton transfer (ESPT) in 2PBI and 4PBI are affected strongly upon complexation, as is manifested in steady state and time-resolved fluorescence experiments
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Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles