Shi, Jing’s team published research in Journal of Physical Organic Chemistry in 22 | CAS: 17236-59-8

Journal of Physical Organic Chemistry published new progress about 17236-59-8. 17236-59-8 belongs to alcohols-buliding-blocks, auxiliary class Thiophene,Alcohol, name is Thiophen-3-ol, and the molecular formula is C12H13F2N3O4S, Application of Thiophen-3-ol.

Shi, Jing published the artcileHeterocyclic analogs of phenol as novel potential antioxidants, Application of Thiophen-3-ol, the publication is Journal of Physical Organic Chemistry (2009), 22(11), 1038-1047, database is CAplus.

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.

Journal of Physical Organic Chemistry published new progress about 17236-59-8. 17236-59-8 belongs to alcohols-buliding-blocks, auxiliary class Thiophene,Alcohol, name is Thiophen-3-ol, and the molecular formula is C12H13F2N3O4S, Application of Thiophen-3-ol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts