Chemical engineers ensure the efficiency and safety of chemical processes, adapt the chemical make-up of products to meet environmental or economic needs, and apply new technologies to improve existing processes. 75-98-9, Name is Pivalic acid, molecular formula is C5H10O2, Recommanded Product: Pivalic acid, belongs to benzisoxazole compound, is a common compound. In a patnet, author is Giorgi, G, once mentioned the new application about 75-98-9.
Gas phase ion chemistry of the heterocyclic isomers 3-methyl-1,2-benzisoxazole and 2-methyl-1,3-benzoxazole
Different mass spectrometric methods, stable isotope labeling, and theoretical calculations have allowed us to structurally characterize and differentiate the isomeric ion structures produced by the two heteroaromatic isomers 3-methyl-1,2-benzisoxazole and 2-methyl-1,3-benzoxazole. The low-energy collision induced dissociation spectra of their molecular ions show large differences. Although both of them produce abundant loss of CO, that involves a carbon atom of the benzene ring, the 2-methyl-1,3-benzoxazole also shows abundant [M-CHO](+) ions at m/z 104, the intensity of which is quite low in the case of its isomer 3-methyl-1,2-benziscxazole. In addition, MS/MS measurements of fragment ions show characteristic differences that allow distinction among the isomers depending on the original arrangement of the atoms in the five-membered ring. Theoretical ab initio calculations have allowed to determine chemico-physical properties of different ions and to propose a rationalization of the decomposition pathways followed by the two benz(is)oxazole isomers. (C) 2004 American Society for Mass Spectrometry.
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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics