Radical Selenation of C(sp3)–H Bonds to Asymmetric Selenides and Mechanistic Study

2022 ◽  
Author(s):  
Xin Wang ◽  
Jia Lei ◽  
Sa Guo ◽  
Yan Zhang ◽  
Yong Ye ◽  
...  
Keyword(s):  
Biological Activities ◽  
Mechanistic Study ◽  
Facile Synthesis ◽  
Structural Motifs

Selenides are important structural motifs with a broad range of biological activities and versatile transformational abilities. In this study, a novel and mild method was developed for the facile synthesis...

DFT Study and Synthesis of Novel Bioactive Bispyrazole Using Mg/AlLDH as a Solid Base Catalyst

2020 ◽  
Vol 14 ◽  
Author(s):  
Soufiane Akhramez ◽  
Youness Achour ◽  
Mustapha Diba ◽  
Lahoucine Bahsis ◽  
Hajiba Ouchetto ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Experimental Finding ◽  
Biological Activities ◽  
Condensation Reaction ◽  
Aromatic Aldehydes ◽  
Mechanistic Study ◽  
Knoevenagel Reaction ◽  
Solid Base ◽  
Reaction Conditions ◽  
Aryl Aldehyde

Background: In this study, an efficient synthesis of novel bispyrazole heterocyclic molecules by condensation of substituted aromatic aldehydes with 1,3-diketo-N-phenylpyrazole by using Mg/Al-LDH as heterogeneous catalyst is reported. The attractive features of this protocol are as follows: mild reaction conditions, good yields and easiness of the catalyst separation from the reaction mixture. Further, a mechanistic study has been performed by using DFT calculations to explain the observed selectivity of the condensation reaction between aryl aldehyde and 1,3-diketo-N-phenylpyrazole via Knoevenagel reaction. The local electrophilicity/ nucleophilicity that allows explaining correctly the experimental finding. Methods: The bispyrazole derivatives 3a-m were prepared by condensation reaction of substituted aromatic aldehydes with 1,3-diketo-Nphenylpyrazole by using Mg/Al-LDH as heterogeneous catalyst under THF solvent at the refluxing temperature. Objective: To synthesize a novel bispyrazole heterocyclic molecule may be have important biological activities and thus can be good candidates for pharmaceutical applications. Results: This protocol describes the Synthesis of Bioactive Compounds under mild reaction conditions, good yields and easiness of the catalyst separation from the reaction mixture. Further, a mechanistic study has been performed by using DFT calculations to explain the observed selectivity of the condensation reaction between aryl aldehyde and 1,3-diketo-N-phenylpyrazole via Knoevenagel reaction. The local electrophilicity/ nucleophilicity that allows explaining correctly the experimental finding. Conclusion: In summary, the pharmacologically interesting bis-pyrazole derivatives have been synthesized through Mg/Al-LDH as a solid base catalyst, in THF as solvent. Thus, the synthesized bioactive compounds containing the pyrazole ring may be have important biological activities and thus can be good candidates for pharmaceutical applications. Therefore, the catalyst Mg/Al-LDH showed high catalytic activity. Besides, a series of bispyrazole molecules were synthesized with a good yield and easy separation of the catalyst by simple filtration. Moreover, DFT calculations and reactivity indexes are used to explain the selectivity of the condensation reaction between aryl benzaldehyde and 1,3-diketo-Nphenylpyrazole via Knoevenagel reaction, and the results are in good agreement with the experimental finding.

Facile synthesis of novel 3,4,5-trisubstituted-1,2,4-triazin-6(1H)-onesviaa sequential Ugi–Smiles type/nucleophilic substitution/cyclization reaction

2018 ◽  
Vol 42 (21) ◽  
pp. 17533-17537
Author(s):  
Sorour Ramezanpour ◽  
Mohammad Nasim Rezaei ◽  
Aref Vaezghaemi ◽  
Frank Rominger
Keyword(s):  
Nucleophilic Substitution ◽  
Biological Activities ◽  
Cyclization Reaction ◽  
Facile Synthesis ◽  
Innovative Strategy ◽  
Pyrimidine Bases

An innovative strategy for synthesis of a library of complex multi-substituted 1,2,4-triazine-6-ones. These structures are analogues of pyrimidine bases with possible enhanced biological activities.

Varying structural motifs in the salen based metal complexes of Co(ii), Ni(ii) and Cu(ii): synthesis, crystal structures, molecular dynamics and biological activities

2016 ◽  
Vol 45 (47) ◽  
pp. 19096-19108 ◽  
Author(s):  
Anoop Kumar Saini ◽  
Pratibha Kumari ◽  
Vinay Sharma ◽  
Pradeep Mathur ◽  
Shaikh M. Mobin
Keyword(s):  
Molecular Dynamics ◽  
Metal Complexes ◽  
Crystal Structures ◽  
Biological Activities ◽  
Biological Applications ◽  
Reaction Conditions ◽  
Structural Motifs

Four new metal complexes which demonstrates varying structural motifs from monomeric to dimeric to tetrameric complexes by slightly altering the reaction conditions and their biological applications.

Facile Synthesis and Biological Evaluation of Cyclopropyl-Pyrazole Hybrids in [bmim][PF6]-Water Biphasic System as Antifungal Agents

2019 ◽  
Vol 4 (3) ◽  
pp. 152-158
Author(s):  
P.C. Burde ◽  
A.M. Rahatgaonkar
Keyword(s):  
Ionic Liquid ◽  
Ambient Temperature ◽  
Antifungal Agents ◽  
Biological Activities ◽  
Biological Evaluation ◽  
Biphasic System ◽  
Facile Synthesis ◽  
Convenient Synthesis ◽  
Synthesis And Biological Evaluation ◽  
Substituted 1

3-Cyclopropyl-5-(4-substituted)-1-phenyl-4,5-dihydro-1H-pyrazoles derived from corresponding chalcones were synthesized and evaluated for their biological activities. A convenient synthesis of a library of these compounds in 1-butyl-3-methylimidazolium hexafluorophosphate-water biphasic system at ambient temperature has been accomplished. The ionic liquid, [bmim][PF6] and water which are immiscible, has been easily recycled and reused after separation of the products without any noticeable diminution in its activity.

scholarly journals The copper catalysed reaction of sodium methoxide with aryl bromides. A mechanistic study leading to a facile synthesis of anisole derivatives

Tetrahedron ◽  
1989 ◽  
Vol 45 (17) ◽  
pp. 5565-5578 ◽  
Author(s):  
Henk L. Aalten ◽  
Gerard van Koten ◽  
David M. Grove ◽  
Thijs Kuilman ◽  
Onno G. Piekstra ◽  
...  
Keyword(s):  
Sodium Methoxide ◽  
Mechanistic Study ◽  
Facile Synthesis ◽  
Catalysed Reaction ◽  
Aryl Bromides

Facile Synthesis of Azaarene-Substituted Hydroxycoumarins Possessing High Biological Activities via Three-Component C(sp3)–H Functionalization

2016 ◽  
Vol 18 (9) ◽  
pp. 604-610 ◽  
Author(s):  
Haoxun Dong ◽  
Lubin Xu ◽  
Shuai-Shuai Li ◽  
Liang Wang ◽  
Chang-Lun Shao ◽  
...  
Keyword(s):  
Biological Activities ◽  
Facile Synthesis ◽  
Component C

scholarly journals A Facile Synthesis and Biological Screening of Pyrimidine Derivatives under Ultrasonic Irradiations by ZnCr2O4 Nano-Particles Catalyst

2021 ◽  
Vol 11 (1) ◽  
pp. 2996-3005
Keyword(s):  
Biological Activities ◽  
Aromatic Aldehydes ◽  
Vital Role ◽  
Nano Particles ◽  
Facile Synthesis ◽  
Pyrimidine Derivatives ◽  
One Pot ◽  
Biological Screening ◽  
Characterization Methods ◽  
The One

Using a recyclable catalyst, facile synthesis of pyrimidine derivatives (4a-e) is attributed through the one-pot multi-component reaction of 2-amino benzimidazole (1) substituted aromatic aldehydes (2a-e) with malononitrile (3) under ultrasonic irradiations. Synthesized derivatives might help society in getting more active pharmaceutical constituents. In this present work, series of substituted pyrimidine (4a-e) were synthesized and confirmed with different spectra characterization methods. The ZnCr2O4 nano-particles play a vital role in eco-friendly, highly efficient, recyclable heterogeneous nanocatalyst. Furthermore, synthesized pyrimidine derivatives showed significant biological activities. Advantages of this handy route are less reaction time, simple isolation, and highly yielded products.

Facile Synthesis, Crystal Structure, DFT Calculation and Biological Activities of 4-(2-fluorophenyl)-3-(3-methoxybenzyl)-1H-1,2,4-triazol-5 (4H)-one (5)

2018 ◽  
Vol 14 (5) ◽  
pp. 451-459 ◽  
Author(s):  
Muhammad Saleem ◽  
Muhammad Rafiq ◽  
Yeon Ki Jeong ◽  
Dae Won Cho ◽  
Chong-Hyeak Kim ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dft Calculation ◽  
Biological Activities ◽  
Facile Synthesis

ChemInform Abstract: The Copper-Catalyzed Reaction of Sodium Methoxide with Aryl Bromides. A Mechanistic Study Leading to a Facile Synthesis of Anisole Derivatives.

ChemInform ◽  
1989 ◽  
Vol 20 (52) ◽  
Author(s):  
H. L. AALTEN ◽  
G. VAN KOTEN ◽  
D. M. GROVE ◽  
T. KUILMAN ◽  
O. G. PIEKSTRA ◽  
...  
Keyword(s):  
Sodium Methoxide ◽  
Mechanistic Study ◽  
Facile Synthesis ◽  
Aryl Bromides
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