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...
| Main Authors: | , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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MDPI - Open Access Publishing
2020
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| Online Access: | https://umpir.ump.edu.my/id/eprint/29288/ |
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| author | Nazeer, Usman Rasool, Nasir Aqsa, Mujahid Mansha, Asim Muhammad Zubair, Abdul Wahab Saaroni Kosar, Naveen Mahmood, Tariq Ali Raza, Shah Syed Adnan, Ali Shah Zainul Amiruddin, Zakaria Muhammad Nadeem, Akhtar |
| author_facet | Nazeer, Usman Rasool, Nasir Aqsa, Mujahid Mansha, Asim Muhammad Zubair, Abdul Wahab Saaroni Kosar, Naveen Mahmood, Tariq Ali Raza, Shah Syed Adnan, Ali Shah Zainul Amiruddin, Zakaria Muhammad Nadeem, Akhtar |
| author_sort | Nazeer, Usman |
| building | UMP Institutional Repository |
| collection | Online Access |
| 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. |
| first_indexed | 2025-11-15T03:58:06Z |
| format | Article |
| id | ump-29288 |
| institution | Universiti Malaysia Pahang |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T03:58:06Z |
| publishDate | 2020 |
| publisher | MDPI - Open Access Publishing |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | ump-292882025-09-29T02:07:45Z https://umpir.ump.edu.my/id/eprint/29288/ 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 Nazeer, Usman Rasool, Nasir Aqsa, Mujahid Mansha, Asim Muhammad Zubair, Abdul Wahab Saaroni Kosar, Naveen Mahmood, Tariq Ali Raza, Shah Syed Adnan, Ali Shah Zainul Amiruddin, Zakaria Muhammad Nadeem, Akhtar Q Science (General) QC Physics QD Chemistry 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. MDPI - Open Access Publishing 2020 Article PeerReviewed pdf en cc_by_4 https://umpir.ump.edu.my/id/eprint/29288/1/10.%20Selective%20Arylation%20of%202-Bromo-4-chlorophenyl-2-bromobutanoate%20via%20a%20Pd.pdf Nazeer, Usman and Rasool, Nasir and Aqsa, Mujahid and Mansha, Asim and Muhammad Zubair, Abdul Wahab Saaroni and Kosar, Naveen and Mahmood, Tariq and Ali Raza, Shah and Syed Adnan, Ali Shah and Zainul Amiruddin, Zakaria and Muhammad Nadeem, Akhtar (2020) 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. Molecules, 25 (15). pp. 1-14. ISSN 1420-3049 (print); 1420-3049 (online). (Published) https://doi.org/10.3390/molecules25153521 https://doi.org/10.3390/molecules25153521 https://doi.org/10.3390/molecules25153521 |
| spellingShingle | Q Science (General) QC Physics QD Chemistry Nazeer, Usman Rasool, Nasir Aqsa, Mujahid Mansha, Asim Muhammad Zubair, Abdul Wahab Saaroni Kosar, Naveen Mahmood, Tariq Ali Raza, Shah Syed Adnan, Ali Shah Zainul Amiruddin, Zakaria Muhammad Nadeem, Akhtar 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 | 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_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_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 |
| topic | Q Science (General) QC Physics QD Chemistry |
| url | https://umpir.ump.edu.my/id/eprint/29288/ https://umpir.ump.edu.my/id/eprint/29288/ https://umpir.ump.edu.my/id/eprint/29288/ |