X-ray and vibrational studies of methyl (N-benzoylaminooxy)acetate

Add time:07/26/2019    Source:sciencedirect.com

The crystal and molecular structures of methyl (N-benzoylaminooxy)acetate (MBAOA) have been determined by X-ray diffraction at room temperature. In the crystal the amide CO of one molecule is hydrogen-bonded to the amide NH of an adjacent molecule (O1 ⋯ N1′ = 2.850(2) Å, O1 ⋯ H6′N1′ = 158(2)°). The ester CO bond is cis oriented to the CO (aminooxy) bond (the O2-C8-C0-O4 torsion angle is 2.6(3)°). IR and Raman spectra of MBAOA and its deuterated analogs have been measured in the solid state and in solution. In polar solvents the ester vCO was observed as a doublet feature in IR spectra, suggesting the existence of the two conformers having different torsion angles around the (O)CC(=O) bond. By combining the X-ray crystallographic result with the IR and Raman data, it is suggested that the conformer with the higher frequency of the ester vCO in solution has the ester CO bond cis oriented to the CO (aminooxy) bond.

We also recommend Trading Suppliers and Manufacturers of BENZOYLGLYCINE METHYL ESTER (cas 1205-08-9). Pls Click Website Link as below: cas 1205-08-9 suppliers

Prev:Synthesis of novel bioactive phthalimido-4-methyl pentanoateorganotin(IV) esters with spectroscopic investigation
Next:Synthesis of 3,3′-disubstituted-2,2′-biindolyls through sequential palladium-catalysed reactions of 2,2,2-trifluoro-N-(2-(4-[2,2,2-trifluoro-acetylamino)-phenyl]-buta-1,3-diynyl)-phenyl)-acetamide with organic halides/triflates)