Fu, Yao published the artcileFirst-Principle Predictions of Absolute pKa‘s of Organic Acids in Dimethyl Sulfoxide Solution, Name: 2-Methoxyacetamide, the publication is Journal of the American Chemical Society (2004), 126(3), 814-822, database is CAplus and MEDLINE.
MP2/6-311++G(d,p) and B3LYP/6-311++G(2df,p) methods are able to predict the gas-phase acidities of various organic acids with a precision of 2.2 and 2.3 kcal/mol. A PCM cluster-continuum solvation method was developed that could predict the solvation free energies of various neutral, cationic, and anionic organic species in DMSO with a precision of â?.0 kcal/mol. Using these carefully tested methods, the authors successfully predicted the pKa‘s of 105 organic acids in DMSO with a precision of 1.7-1.8 pKa units. The authors also predicted the pKa‘s of a variety of organosilanes in DMSO for the first time using the newly developed methods. This study was one of the first that employed first-principle methods for calculating pKa‘s of unrelated compounds in organic solutions
Journal of the American Chemical Society published new progress about 16332-06-2. 16332-06-2 belongs to ethers-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Amide,Ether, name is 2-Methoxyacetamide, and the molecular formula is C3H7NO2, Name: 2-Methoxyacetamide.
Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem