Heterocyclic analogs of phenol as novel potential antioxidants was written by Shi, Jing;Liang, Shuang;Feng, Ye-Su;Wang, Hua-Jing;Guo, Qing-Xiang. And the article was included in Journal of Physical Organic Chemistry in 2009.Product Details of 80348-66-9 The following contents are mentioned in the article:
Five d. functional theory (DFT) methods including B3LYP, B3PW91, MPW1K, MPWB, TPSS1KCIS were evaluated by comparing with the exptl. O[bond]H bond dissociation enthalpies (BDEs) of substituted phenols. B3PW91 is the best method, for which the calculation error was 3.62 kJ/mol. Subsequently, the BDEs (O[bond]H) of hydroxyl groups on five- and six-membered heteroat. aromatic rings were calculated using the (RO)B3PW91/6-311++G(2df,2p)//(U)B3LYP/6-311g(d,p) procedure. The ionization energy (IE) and proton affinity [PA(O–)] of these compounds also were examined From theor. study, imidazolols, thiazolols, and oxazolols were studied to assess their antioxidant activities. 5-Oxazolol could be a promising novel antioxidant precursor. Copyright © 2009 John Wiley and Sons, Ltd. This study involved multiple reactions and reactants, such as Isoxazol-4-ol (cas: 80348-66-9Product Details of 80348-66-9).
Isoxazol-4-ol (cas: 80348-66-9) belongs to isoxazole derivatives.Synthetically, isoxazoles serve as valuable precursors for the construction of diverse molecules, including many natural products. Fe(CO)5 efficiently cleaves the N–O bond of fused isoxazolo-1,4-quinones to give the corresponding imines.All the common reducing reagents failed to open the isoxazole ring.Product Details of 80348-66-9
Referemce:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem