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

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

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...

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Published in:Molecules
Main Author: Nazeer U.; Rasool N.; Mujahid A.; Mansha A.; Zubair M.; Kosar N.; Mahmood T.; Shah A.R.; Shah S.A.A.; Zakaria Z.A.; Akhtar M.N.
Format: Article
Language:English
Published: MDPI AG 2020
Online Access:https://www.scopus.com/inward/record.uri?eid=2-s2.0-85089132739&doi=10.3390%2fmolecules25153521&partnerID=40&md5=c23a66cac843e7f44dc8f74e2c347773
id 2-s2.0-85089132739
spelling 2-s2.0-85089132739
Nazeer U.; Rasool N.; Mujahid A.; Mansha A.; Zubair M.; Kosar N.; Mahmood T.; Shah A.R.; Shah S.A.A.; Zakaria Z.A.; Akhtar M.N.
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
2020
Molecules
25
15
10.3390/molecules25153521
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85089132739&doi=10.3390%2fmolecules25153521&partnerID=40&md5=c23a66cac843e7f44dc8f74e2c347773
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. © 2020 by the authors. Licensee MDPI, Basel, Switzerland.
MDPI AG
14203049
English
Article
All Open Access; Gold Open Access
author Nazeer U.; Rasool N.; Mujahid A.; Mansha A.; Zubair M.; Kosar N.; Mahmood T.; Shah A.R.; Shah S.A.A.; Zakaria Z.A.; Akhtar M.N.
spellingShingle Nazeer U.; Rasool N.; Mujahid A.; Mansha A.; Zubair M.; Kosar N.; Mahmood T.; Shah A.R.; Shah S.A.A.; Zakaria Z.A.; Akhtar M.N.
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
author_facet Nazeer U.; Rasool N.; Mujahid A.; Mansha A.; Zubair M.; Kosar N.; Mahmood T.; Shah A.R.; Shah S.A.A.; Zakaria Z.A.; Akhtar M.N.
author_sort Nazeer U.; Rasool N.; Mujahid A.; Mansha A.; Zubair M.; Kosar N.; Mahmood T.; Shah A.R.; Shah S.A.A.; Zakaria Z.A.; Akhtar M.N.
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
title_short 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_sort 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
publishDate 2020
container_title Molecules
container_volume 25
container_issue 15
doi_str_mv 10.3390/molecules25153521
url https://www.scopus.com/inward/record.uri?eid=2-s2.0-85089132739&doi=10.3390%2fmolecules25153521&partnerID=40&md5=c23a66cac843e7f44dc8f74e2c347773
description 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. © 2020 by the authors. Licensee MDPI, Basel, Switzerland.
publisher MDPI AG
issn 14203049
language English
format Article
accesstype All Open Access; Gold Open Access
record_format scopus
collection Scopus
_version_ 1809678481926127616

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