Mass spectra of new heterocycles: XV. Fragmentation of 1-substituted 3-alkoxy-2-(propargylsulfanyl)- and 3-alkoxy-2-(allenylsulfanyl)-1H-pyrroles under electron impact was written by Klyba, L. V.;Tarasova, O. A.;Nedolya, N. A.. And the article was included in Russian Journal of Organic Chemistry in 2016.Name: Isopropylisothiocyanate The following contents are mentioned in the article:
The electron impact mass spectra of 1-R-substituted 3-alkoxy-2-(propargylsulfanyl)- and 3-alkoxy-2-(allenylsulfanyl)-1H-pyrroles (R = Me, i-Pr, s-Bu, Ph) have been studied for the first time. These compounds give rise to stable mol. ions whose primary fragmentation follows three competing pathways: cleavage of the C-O bonds with expulsion of alkyl radical, cleavage of the C-S bonds with formation of [M-C3H3]+ ions, and cleavage of the C-N bonds with synchronous hydrogen transfer to give odd-electron [M-CnH2n]+ · ion. The main fragmentation pathway of 2-(propargylsulfanyl) derivatives is cleavage of the C-S bond with formation of [M-C3H3]+ ion. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Name: Isopropylisothiocyanate).
Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Name: Isopropylisothiocyanate
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics