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1.

Strategies for the synthesis of heterocyclic compounds based on 1,2-bis(thiocarbamoyl)hydrazines: A literature review Pages 819-834 PDF Download PDF

Authors: Valeriia V. Pavlovaa, Pavlo V. Zadorozhnii, Vadym V. Kiselev, Oxana V. Okhtina, Aleksandr V. Kharchenko, Igor Yu. Yakymenko

doi 10.5267/j.ccl.2026.7.003

๐Ÿ”‘ Keywords: Synthesis, Heterocycles, 1, 2-bis(thiocarbamoyl)hydrazine, Dithiobiurea, 1, 3, 4-thiadiazole

Abstract:
Derivatives of 1,2-bis(thiocarbamoyl)hydrazines have attracted considerable attention due to their high synthetic potential and ability to serve as versatile precursors in the construction of various heterocyclic systems. These compounds are efficient building blocks for the synthesis of a wide range of heterocycles, including 1,3,4-thiadiazoles, triazoles, 1,3-thiazoles, dithiadiazepines, 1,3,4-thiadiazines, thiazepines, pyrazolo[1,2-c][1,3,4]thiadiazoles, imidazo[2,1-b][1,3,4]thiadiazoles, triazaphospholes, and other condensed systems. This review systematizes modern approaches to the synthesis of heterocyclic compounds based on 1,2-bis(thiocarbamoyl)hydrazines, in particular oxidative desulfurization reactions, alkylation, interactions with acids and bases, ฮฑ-halocarbonyl compounds, hydrazonoyl halides, isocyanide dichlorides, ethenecarbonitriles, haloquinones, acetylenedicarboxylates, and related reagents. Particular attention is paid to the analysis of the reactivity of these compounds, key synthetic strategies, and factors that determine the direction of heterocyclization reactions. The review summarizes current literature data and outlines prospects for the further application of 1,2-bis(thiocarbamoyl)hydrazines as versatile synthetic platforms in heterocyclic chemistry.
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Journal: CCL | Year: 2026 | Volume: 15 | Issue: 4 | Views: 60

 
2.

Green one-pot synthesis of pyrano[2,3-c]pyrazole monoazo dyes for high-performance textile dyeing and AgNP-enabled antimicrobial/UV functionalization Pages 691-710 PDF Download PDF

Authors: Ahmed Ragheb, Maher H. Helal, Saadia A. Abd El-Megied, Fatma A. Mohamed, Mohamed G. Abouelenein

doi 10.5267/j.ccl.2026.3.002

๐Ÿ”‘ Keywords: Pyrano[2, 3-c]pyrazole, Synthesis, Monoazo dyes, Silver nanoparticles, Textile, Antibacterial textiles

Abstract:
Despite extensive reports on azo dyes, the development of environmentally benign and multifunctional dye systems tailored for technical textiles remains limited. In this work, a green one-pot multicomponent strategy was employed to synthesize a series of pyrano[2,3-c]pyrazole-based monoazo dyes, which were structurally validated by comprehensive spectroscopic and elemental analyses. The dyes exhibited high exhaustion and fixation on polyester, nylon, and wool fabrics, delivering uniform deep shades with strong color strength, excellent fastness properties, and compatibility with high-temperature dyeing without auxiliary fixation steps. Notably, post-dyeing silver nanoparticle functionalization imparted pronounced and durable antimicrobial activity while preserving chromatic performance.
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Journal: CCL | Year: 2026 | Volume: 15 | Issue: 3 | Views: 101

 
3.

Comparative study on 2,2โ€™-bi(1,3,4-oxadiazole) derivatives: Synthesis, optical properties, SEM analysis and theoretical design Pages 281-294 PDF Download PDF

Authors: Assiya Atif, Soukaina Ameur, Redouane Lahkale, Houssine Ait Sir

doi 10.5267/j.ccl.2026.2.001

๐Ÿ”‘ Keywords: 1, 3, 4-oxadiazole, Synthesis, Characterization, Optical Properties, Scanning Electron Microscopy, Reactivity, ADMET, Molecular docking

Abstract:
In this work, the synthesis of 6,6'-([2,2'-bi(1,3,4-oxadiazole)]-5,5'-diyl)bis(3-chloroaniline) (6a) and 5,5'-([2,2'-bi(1,3,4-oxadiazole)]-5,5'-diyl)bis(benzene-1,3-diamine) (6b) was carried out and characterized by spectral data from 1H NMR, 13C NMR, IR and mass spectrometry. The optical properties of these compounds were studied, in particular the evolution of reflectance, absorption and band gap energy, and a scanning electron microscopy (SEM) analysis was performed. A comparative in-silico study combining DFT-based reactivity analysis, ADMET prediction, and molecular docking were employed for compounds 6a and 6b. Both exhibited distinct reactivity profiles and strong binding affinities toward DNA Gyrase B (7C7N) and the DNA-ruthenium complex (4E7Y), highlighting their potential as antibacterial agents, as well their potential use in photovoltaic application and for near infrared light shielding basing on the optical results.
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Journal: CCL | Year: 2026 | Volume: 15 | Issue: 2 | Views: 236

 
4.

Synthesis and theoretical design of the novel compound 6,6โ€ฒ-(1,3,4-oxadiazole-2,5-diyl)bis(3-chloroaniline): Reactivity, molecular docking and corrosion inhibition Pages 305-316 PDF Download PDF

Authors: Assiya Atif, Soukaina Ameur, Houssine Ait Sir

doi 10.5267/j.ccl.2026.1.006

๐Ÿ”‘ Keywords: Synthesis, Characterization, 1, 3, 4-oxadiazole, DFT, Reactivity, ADMET, Molecular Docking, Monte Carlo, Molecular Dynamics, Corrosion Inhibitors

Abstract:
This study presents the synthesis and characterization of the novel compound 6,6'-(1,3,4-oxadiazole-2,5-diyl)bis(3-chloroaniline), using 1H NMR, 13C NMR, mass spectrometry and FTIR-ATR infrared spectroscopy. Density Functional Theory (DFT) calculations at the B3LYP/6-311G (d,p) level, were employed to optimize the molecular geometry and evaluate electronic properties. Frontier molecular orbital, molecular electrostatic potential, Parr function, and electron localization function analyses revealed an ambiphilic character, with electrophilic sites localized on the oxadiazole core and nucleophilic regions on the chloroaniline moieties. Molecular docking demonstrated high binding affinities toward Topoisomerase IV, Tubulin, and CDK2, surpassing standard ligands and indicating potential antibacterial and anticancer activities. ADME/Toxicity predictions suggested good pharmacokinetic behavior and low toxicity. Monte Carlo and molecular dynamics simulations confirmed strong and stable adsorption of the novel compound OBA on the Fe (110) surface, supporting its efficiency as a corrosion inhibitor.
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Journal: CCL | Year: 2026 | Volume: 15 | Issue: 2 | Views: 240

 
5.

Synthesis, characterization and study on the corrosion inhibition of E24 steel in acidic medium by 5,5'-(methylenebis(1,3,4-oxadiazole-5,2-diyl))bis(benzene-1,3-diamine): Approach combining chemistry and theoretical modeling Pages 387-396 PDF Download PDF

Authors: Assiya Atif, Bendaoud Ahmed, Houssine Ait Sir, Salah Mohammed, Zeroual Abdellah

doi 10.5267/j.ccl.2025.12.007

๐Ÿ”‘ Keywords: 1, 3, 4-oxadiazole, Synthesis, Characterization, Monte Carlo, Non-Covalent Interactions

Abstract:
This study presents the synthesis and characterization of the compound 5,5'-(methylenebis(1,3,4-oxadiazole-5,2-diyl))bis(benzene-1,3-diamine), by 1H NMR, 13C NMR and FTIR-ATR infrared spectroscopy and mass spectrometry. A theoretical study was carried out by a comprehensive and hierarchical methodology in order to evaluate the inhibitory behavior of the molecule 5,5'-(methylenebis(1,3,4-oxadiazole-5,2-diyl))bis(benzene-1,3-diamine) with respect to the corrosion of a Fe(110) type metal surface. Thus, examination of non-covalent interactions by NCI analysis. In addition, the study of adsorption on the metal surface was carried out by the Monte Carlo method.
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Journal: CCL | Year: 2026 | Volume: 15 | Issue: 2 | Views: 141

 
6.

Synthesis, characterization and in silico evaluation of 2,5-bis(2-(trifluoromethyl)-1H-benzimidazol-5-yl)-1,3,4-oxadiazole: Reactivity, ADME/toxicity, and docking against therapeutic targets Pages 793-804 PDF Download PDF

Authors: Assiya Atif, Soukaina Ameur, Houssine Ait Sir

doi 10.5267/j.ccl.2025.8.004

๐Ÿ”‘ Keywords: Synthesis, Characterization, 1, 3, 4-oxadiazole, Reactivity, Docking

Abstract:
This study presents the synthesis and characterization of a novel 1,3,4-oxadiazole derivative compound, 2,5-bis(2-(trifluoromethyl)-1H-benzimidazol-5-yl)-1,3,4-oxadiazole, using 1H NMR, 13C NMR, mass spectrometry and FTIR-ATR infrared spectroscopy. Reactivity, ADME/toxicity and docking to therapeutic targets were investigated revealed that 2,5-bis(2-(trifluoromethyl)-1H-benzimidazol-5-yl)-1,3,4-oxadiazole (BTBO) exhibits excellent intestinal absorption, limited solubility and CNS penetration, and restained clearance. It interacts with key cytochromes and transporters, suggesting possible drugโ€“drug interactions. Toxicity evaluations indicated mutagenic potential and moderate oral toxicity, with no hepatotoxicity or skin sensitization. Molecular docking demonstrated strong binding affinities to targets in six therapeutic areas, often outshining reference ligands, supporting its auspicious pharmacokinetic and therapeutic potential.
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Journal: CCL | Year: 2025 | Volume: 14 | Issue: 4 | Views: 352

 
7.

Review of synthesis process of 1,3,4-oxadiazole analogs Pages 339-364 PDF Download PDF

Authors: Assiya Atif, Abouelhaoul El Alami, Fatima Youssoufi, Said Jebbari, Houssine Ait Si

doi 10.5267/j.ccl.2024.11.002

๐Ÿ”‘ Keywords: Synthesis

Abstract:
This review presents 1,3,4-oxadiazole which has considerable importance in the fields of pharmacy, medicine, corrosion and coordinate chemistry. 1,3,4-oxadiazole plays a vital role and is a simple substance for many pharmacokinetic compounds such as antifungal drugs, antibacterial drugs, most cancer tumors and anti-inflammatory drugs. This study describes many methods for the synthesis of 1,3,4-oxadiazole.
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Journal: CCL | Year: 2025 | Volume: 14 | Issue: 2 | Views: 1602

 
8.

Antioxidant properties of some 4-arylimino-thiazolidin-2-ones Pages 365-372 PDF Download PDF

Authors: Zoriana ะกhulovska, Taras Chaban, Arkady Savchenko, Olexandra Komarytsya, Marta Dasho, Maryan Lelyukh, Ihor Chaban, Volodymyr Ogurtso

doi 10.5267/j.ccl.2024.11.001

๐Ÿ”‘ Keywords: Synthesis, 4-Arylimino-thiazolidin-2-ones, DPPH, Antioxidant activity

Abstract:
In the present work, we report an efficient synthesis and antioxidant activity evaluation of some 4-arylimino-thiazolidin-2-ones. The structures of target substances were confirmed through 1H and 13C NMR spectroscopy, mass spectrometry and elemental analysis. The antioxidant activity of the synthesized compounds was measured in vitro by the method of scavenging effect on 2,2-diphenyl-1-picrylhydrazyl (DPPH) radicals. Notably, antioxidant activity was identified for the first time among 4-arylimino-thiazolidin-2-ones.
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Journal: CCL | Year: 2025 | Volume: 14 | Issue: 2 | Views: 550

 
9.

Synthesis, characterization, and in vitro anticancer evaluation of 2,4 disulfonylsubstituted 5-aminothiazoles Pages 557-568 PDF Download PDF

Authors: Volodymyr Zyabrev, Bohdan Demydchuk, Stepan Pilyo, Victor Zhirnov, Olexandr Liavynets, Volodymyr Brovarets

doi 10.5267/j.ccl.2024.2.003

๐Ÿ”‘ Keywords: 4-Arylsulfonyl-1, 3-thiazoles, Design, Synthesis, Anticancer activity, COMPARE correlations

Abstract:
Novel 2,4-disulfonylsubstituted 5-aminothiazoles were synthesized and their anticancer activity was assessed at a high dose (10 ฮผM) against NCI 60 cancer cell lines. Compounds 24 and 25 showed the antiproliferative activity with mean growth inhibition about 66.0%. Replacing 4-hydroxypiperidine 24 with the more hydrophilic N-methyl piperazine 25 increased the number of sensitive cell lines while replacing these hydrophilic groups with lipophilic ones abolished the anticancer activity. The COMPARE analysis showed that the tested compounds had a moderate positive correlation with alkylating agents (CCNU and methyl CCNU) and with a purine nucleotide biosynthesis inhibitor analog (L-cysteine). The results indicate that the above mechanisms of antitumor action of standard compounds are not the main ones for the tested compounds due to the lack of a high correlation. The results of this study allow us to consider compounds 24 and 25 as a basis for their further functionalization to obtain more active compounds.
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Journal: CCL | Year: 2024 | Volume: 13 | Issue: 3 | Views: 799

 
10.

Synthesis and biological activity of rhodanine-furan conjugates: A review Pages 287-302 PDF Download PDF

Authors: Yuliia Matiichuk, Iryna Drapak, Natalia Darmograi, Nataliia Bartoshyk, Yana Drapak, Vasyl Matiychuk

doi 10.5267/j.ccl.2023.12.003

๐Ÿ”‘ Keywords: Rhodanine, Furan, Heterocyclic conjugates, Synthesis, Biological activity

Abstract:
Rhodanines are recognized as privileged heterocycles in medicinal chemistry. The main achievements include the development of drug-like molecules with numerous biological activities as well as approved drugs. The Furan nucleus is considered one of the promising heterocyclic cores in medicinal chemistry that showed numerous ranges of activity. The combination of several heterocycles in a one molecule commonly provides much more interest in the enhanced activity profile of its analogs than their parent separate constituents. Such conjugates are promising objects for modern medicinal chemistry. In this review paper recent advances in the synthesis and biological activities rhodanine-furan conjugates which its application in the different field of drug discovery.
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Journal: CCL | Year: 2024 | Volume: 13 | Issue: 2 | Views: 2111

 
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