Annulation of Internal Alkyne toward Synthesis of Selective E-Benzofulvene and Mechanistic Study using Density Function Theory Calculation
Shubhendu Dhara*, Anuvab Das, Dhiraj Das, Rajesh Koner
DOI: 10.22607/IJACS.2021.903002
Volume 9, Issue 3 | Pages: 105-110
Abstract
An efficient approach has been devised for the synthesis of highly functionalized E-benzofulvenes. While annulating an internal
alkyne with 4-(2-bromophenyl)but-3-en-2-one yielded up to 87% of E-benzofulvene derivatives. Double functionalization
of Csp2-H and ortho-C-Br bonds in an α,β-unsaturated arylketone in the presence of cheap catalyst PdCl2 with alkyne triple
bond afforded almost quantitative formation of highly substituted benzofulvene in N,N-dimethylformamide solvent and under
reasonable reaction conditions. Detail mechanism of annulations of alkynes to give selective E-benzofulvenes has been studied
by density function theory analysis using the Gaussian 09 program.
Keywords
E-Benzofulvene Annulation Internal alkyne Wittig reaction o-bromostyrene Density function theory.References
No references available for this article.
Citation
Shubhendu Dhara*, Anuvab Das, Dhiraj Das, Rajesh Koner. Annulation of Internal Alkyne toward Synthesis of Selective E-Benzofulvene and Mechanistic Study using Density Function Theory Calculation. J Appl Pharm Sci. 2021; 9(3):105-110 .