Reference of 99-14-9, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 99-14-9, Name is Propane-1,2,3-tricarboxylic acid, SMILES is O=C(O)CC(CC(O)=O)C(O)=O, belongs to Benzisoxazole compound. In a article, author is Nunes, Claudio M., introduce new discover of the category.
On the Photochemistry of 1,2-Benzisoxazole: Capture of Elusive Spiro-2H-azirine and Ketenimine Intermediates
The photochemistry of 1,2-benzisoxazole (1) was studied using low-temperature matrix isolation coupled with infrared spectroscopy and quantum chemistry calculations. We identified, for the first time, spiro-2H-azirine 2 and ketenimine 3 as intermediates in the photoisomerization of 1 to 2-cyanophenol (4). These results constitute indirect evidence for the existence of vinylnitrene intermediates in the photochemistry of 1,2-benzisoxazoles. The potential energy surface (PES) resulting from the N-O bond cleavage of 1 was compared with the respective PES of the parent isoxazole. Calculations at the CBS-QB3 level show that no stabilization is gained for the triplet vinylnitrene upon introduction of a benzene ring fused with isoxazole. However, the energies of 2 and 3 are higher by 13-15 kcal/mol comparing with the 2H-azirine and ketenimine analogs resulting from isoxazole, which explains why they had not been observed before. Our general mechanistic proposal also predicts well the photoisomerizations of 2 and 3 to 4.
Reference of 99-14-9, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. I hope my blog about 99-14-9 is helpful to your research.
Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics