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- Title
Selective Arylation of 2-Bromo-4-chlorophenyl-2-bromobutanoate via a Pd-Catalyzed Suzuki Cross-Coupling Reaction and Its Electronic and Non-Linear Optical (NLO) Properties via DFT Studies.
- Authors
Nazeer, Usman; Rasool, Nasir; Mujahid, Aqsa; Mansha, Asim; Zubair, Muhammad; Kosar, Naveen; Mahmood, Tariq; Raza Shah, Ali; Shah, Syed Adnan Ali; Zakaria, Zainul Amiruddin; Akhtar, Muhammad Nadeem; Neves, M. Graça P. M. S.; Favi, Gianfranco
- Abstract
In the present study, 2-bromo-4-chlorophenyl-2-bromobutanoate (3) was synthesized via the reaction of 2-bromo-4-chlorophenol with 2-bromobutanoyl bromide in the presence of pyridine. A variety of 2-bromo-4-chlorophenyl-2-bromobutanoate derivatives (5a–f) were synthesized with moderate to good yields via a Pd-catalyzed Suzuki cross-coupling reaction. To find out the reactivity and electronic properties of the compounds, Frontier molecular orbital analysis, non-linear optical properties, and molecular electrostatic potential studies were performed.
- Subjects
SUZUKI reaction; FRONTIER orbitals; ARYLATION; ELECTRIC potential; OPTICAL properties
- Publication
Molecules, 2020, Vol 25, Issue 15, p3521
- ISSN
1420-3049
- Publication type
Article
- DOI
10.3390/molecules25153521