4734-51-4Relevant academic research and scientific papers
Pyridyl based mono and di-selenoethers: Synthesis, characterization and DFT study
Hernández-Ayala, Luis Felipe,Reina, Miguel,Flores-Alamo, Marcos,Ruiz-Azuara, Lena
, (2020)
In this joint experimental-DFT study, we present a robust synthetic methodology, designed to produce Se-Cn-Se and C–Se–C. Three pyridyl based selenoethers were synthesized, characterized and analyzed by applying Density Functional Theory (DFT) calculations and conducting cyclic voltammetry (CV) experiments. Bis(2-(pyridin-2-yl)ethyl)selane (BPSe), 1,3-bis((2-(pyridin-2-yl)ethyl)selanyl)propane (BP3Se2) and 1,4-bis((2-(pyridin-2-yl)ethyl)selanyl)butane (BP4Se2) were synthesized from different selenocyanates and characterized by FT-IR and 13C, 1H, 77Se NMR spectroscopies and mass spectrometry. DFT (B3PW91/6-311G(2df,p)) optimized geometries and spectra simulations concur well with the experimental data. Theoretical reactivity behavior was assessed, taking into account HOMO-LUMO diagrams and Molecular Electrostatic Potential maps. Cyclic voltammetry experiments reveal that C–Se bond cleavage occurs in the reduction reaction, whereas, the selenium compounds manifest typical two-electron oxidation behavior. In this work, pyridyl rings were selected to act as electrophile fragments, but from a perspective which considers the possibility of using many other electrophiles to implement this novel procedure.
Diselenide-containing plumbagin derivative shown in formula (V), preparation method and application of derivative
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Paragraph 053; 0054; 0055; 0056; 0057, (2019/04/09)
The invention provides a diselenide-containing plumbagin derivative shown in a formula (V), a preparation method and an application of the derivative. The plumbagin derivative has antioxidant activityand anti-tumor activity, has wide application prospect
Cleavage of the C-Se bond of Cyclic Selenoacetals derived from 4-t-Butyl Cyclohexanone with Butyllithiums and Tin and Silyl Hydrides
Krief, Alain,Badaoui, Elie,Dumont, Willy
, p. 8517 - 8520 (2007/10/02)
Selenoacetals derived from 1,3-propanediselenol and 1,2-ethanediselenol are much less prone to be cleaved by butyllithiums than their open chain analogues.The stereochemistry of the products resulting from these reactions as well as from the cleavage of t
Synthesis of sym-(E/Z)-Diselenadithiafulvalene
Lakshmikantham, M.V.,Cava, Michael P.
, p. 2632 - 2636 (2007/10/02)
sym-Diselenadithiafulvalene (3) has been synthesized as an inseparable E,Z isomer mixture by two fundamentally different routes.The first synthesis proceeds via ethylene diselenocyanate (9), ethane-1,2-diselenol (8), 1,3-Diselenolane-2-thione (7), 4,5-bis(carbomethoxy)-1,3-thiaselenole-2-selone (12),and tetrakis(carbomethoxy)-sym-diselenadithiafulvalene (13).The second synthesis,which involves a greatly improved route to 1,3-thiaselenole-2-selone (18),provides the most practical method available for the preparation of larger quantities of 3.
