Abstract
According to the results of quantum-chemical studies in the framework of the theory
 of functional density of the electron density using the B3LYP / 6-311 ++ G (d, p) method, a theoretical
 mechanism of the reaction of 1,3-dichlorobutene-2 with 1,2-ethanedithiol in the hydrazine hydrateKOH system has been proposed. It has been shown that this interaction proceeds sequentially in several stages, including the nucleophilic substitution of the chlorine atom of the sp3 hybridized carbon
 atom to the sulfur atom with the formation of a monosubstitution product (SN2 mechanism), which under the action of alkali undergoes deprotonation of the methylene group to form an allyl carbanion .
 The resulting carbanion, due to the migration of hydrogen and the removal of chlorine, is converted
 into an allene derivative, which as a result of the intramolecular nucleophilic attack of the free
 thiolate group on the central carbon atom of the allene fragment closes into the final dithian cycle.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Bulletin of the Angarsk State Technical University
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
