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Facile synthesis of N- (4-bromophenyl)-1- (3-bromothiophen-2-yl)methanimine derivatives via Suzuki cross-coupling reaction: their characterization and DFT studies

Rizwan, Komal and Rasool, Nasir and Rehman, Ravya and Mahmood, Tariq and Ayub, Khurshid and Rasheed, Tahir and Ahmad, Gulraiz and Malik, Ayesha and Khan, Shakeel Ahmad and Akhtar, Muhammad Nadeem and Noorjahan Banu, Alitheen and Muhammad Nazirul, Mubin Aziz (2018) Facile synthesis of N- (4-bromophenyl)-1- (3-bromothiophen-2-yl)methanimine derivatives via Suzuki cross-coupling reaction: their characterization and DFT studies. Chemistry Central Journal, 12 (18). pp. 1-9. ISSN 1752-153X

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Abstract

A variety of imine derivatives have been synthesized via Suzuki cross coupling of N-(4-bromophenyl)-1-(3-bromothiophen-2-yl)methanimine with various arylboronic acids in moderate to good yields (58–72%). A wide range of electron donating and withdrawing functional groups were well tolerated in reaction conditions. To explore the structural properties, Density functional theory (DFT) investigations on all synthesized molecules (3a–3i) were performed. Conceptual DFT reactivity descriptors and molecular electrostatic potential analyses were performed by using B3LYP/6-31G(d,p) method to explore the reactivity and reacting sites of all derivatives (3a–3i).

Item Type: Article
Uncontrolled Keywords: Imines, Thiophene, Suzuki coupling, Density functional theory, Computational, Reactivity
Subjects: Q Science > QC Physics
Faculty/Division: Faculty of Industrial Sciences And Technology
Depositing User: Noorul Farina Arifin
Date Deposited: 25 Jul 2018 03:26
Last Modified: 25 Jul 2018 03:26
URI: http://umpir.ump.edu.my/id/eprint/21781
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