New research progress on 129-64-6 in 2021.Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction by binding to a specific portion of an enzyme and thus slowing or preventing a reaction from occurring. 129-64-6, Name is (3aR,4S,7R,7aS)-rel-3a,4,7,7a-Tetrahydro-4,7-methanoisobenzofuran-1,3-dione, molecular formula is C9H8O3, belongs to benzoxazole compound. In a document, author is Patil, Vikas, Product Details of 129-64-6.
Report is about the synthesized new range of oxadiazole substituted quinazoline and studied its electronic distribution to attribute fluorescent properties. B3LYP Density Functional Theory (DFT) computational optimization was studied to observe the effect of electron donor and acceptor substituent’s on photophysical properties, electronic state and energy level. DFT computational optimization was performed by Polarizable Continuum Model (PCM) of solvation strictly in the gas phase and DMF maintaining C-1 symmetry in ground state geometry structure. UV-vis and fluorescence spectroscopic methods help in understanding the relationship between the electron donor and acceptor functional groups on the photophysical properties. Eventually comparing experimental spectral emission and DFT computations were envisage understanding the changes of the electronic transition, energy levels, and electronic orbital distribution in the substituted quinazoline structure. These compounds have good fluorescent brightening properties hence studied and applied as fluorescent brightening agent on polyester fiber. (C) 2019 Elsevier B.V. All rights reserved.
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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem