Current Organocatalysis最新文献

{"title":"Molecular Dynamic, Hirshfeld Surface, Computational Quantum and Spectroscopic analysis of 4-Hydroxy-1-Naphthaldehyde","authors":"M. Mir, M. Jassal, K. Andrews","doi":"10.2174/2213337210666230816091246","DOIUrl":"https://doi.org/10.2174/2213337210666230816091246","url":null,"abstract":"\u0000\u0000Computational Quantum and Spectroscopic analysis of 4-Hydroxy-1-Naphthaldehyde\u0000\u0000\u0000\u0000Known also as 4-Hydroxynaphthalene-1-carbaldehyde, 4-hydroxy-1-naphthaldehyde (4H1NA) is a crucial precursor of many coordinating agents. A commercial compound called 4-hydroxy-1-naphthaldehyde (4H1NA) can be used to make a number of different sensors. In the development of many chemosensors, they operate effectively as a functionalized fluorescent backbone.\u0000\u0000\u0000\u0000Molecular Dynamic, Hirshfeld Surface, Computational Quantum analysis of Naphthaldehyde.\u0000\u0000\u0000\u0000The methods employed in the analysis of the compound involve the DFT calculations, using DFT method and B3LYP/6-311++G (d, p) basis set with respect to its FTIR, NMR, and UV-Visible spectrum. The NMR chemical shifts of carbon and protons in CDCl3 was determined by GIAO method. For the molecule of reference, HOMO-LUMO and Donor-Acceptor interactions were also taken into consideration. Investigations also looked into ELF, Fukui activity, and nonlinear optical properties.\u0000\u0000\u0000\u0000The investigation of the compound at its atomic level was analysed using the computational methods so that chemical, medicinal, and environmental research make use of them to make the molecule more in an improved form with distinguished properties. Strong interaction has been produced as a result of electron transfer from the oxygen atoms lone pair LP (2) to the anti-bonding orbital *(C3-C5) with a significant stabilization energy of 42.61kcal/mol. The attributes of the NLO molecule were calculated and found to be superior to those of the urea molecule, with linear and first order hyper polarizability situation. Our findings imply that the reference molecule can be a heavier contender for NLO as a surface material and could be considered as a vital substance for medicine purpose in the drug industry due to its maximum electrophilicity index.\u0000\u0000\u0000\u0000A commercial compound called 4-hydroxy-1-naphthaldehyde (4H1NA) can be used to make a number of different sensors. The compound has good structural and optical properties. They can be employed for a variety of optical limiting applications because of their unusual optical characteristic, which exhibits third-order nonlinear behavior.\u0000","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44469833","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phytochemicals Present In Ethanol Extract Of Avocado Seed And Its Potential Antioxidant Effect","authors":"Kaio Vinicius Lira da Silva Bastos, Adriana Bezerra Souza, Rodolfo Rodrigues Gomes, L. C. de Souza, Isabella Pacifico Aquino, Felipe de Moura Souza","doi":"10.2174/2213337210666230810094539","DOIUrl":"https://doi.org/10.2174/2213337210666230810094539","url":null,"abstract":"\u0000\u0000Pharmaceutical research currently focuses on methods that allow for more sustainable and natural approaches. In this way, the use of discarded by-products, such as avocado seed, becomes a profitable and sustainable practice.\u0000\u0000\u0000\u0000This study evaluated the extraction of phytochemicals from avocado seed (Soxhlet extraction) and compared the antioxidant capacity of avocado seed (DPPH method). The extraction found compounds of different hydrophobicity and a vast amount of compounds that may present the potential for future clinical trials.\u0000\u0000\u0000\u0000Avocado extract presented an antioxidant effect (AA%) more effective than Quercetin (3.5%), Ascorbic Acid (2.8%,) and lightly lower than Rutin (-1.9%).\u0000\u0000\u0000\u0000Therefore, the avocado seed can be an excellent alternative for research of antioxidants and therapeutic phytochemicals.\u0000","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43547932","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"An Updated Review on the Chemistry, Biological Characteristics and Ana-lytical Techniques of Dapagliflozin","authors":"Ujwala Chaudhari, J. Sahu, P. Dande","doi":"10.2174/2213337210666230627153351","DOIUrl":"https://doi.org/10.2174/2213337210666230627153351","url":null,"abstract":"\u0000\u0000Globally, type 2 diabetes mellitus (T2DM) prevalence is increasing. A patient must have lifetime therapy for diabetes to manage it and prevent any complications. There are many different medications that can be used to treat Type 2 diabetes. Still, almost all of them concentrate on the declining insulin sensitivity and secretion that are associated with the onset of the illness.\u0000\u0000\u0000\u0000There is growing interest in the development of innovative anti-diabetic medications that are not insulin-reliant because treatments with such insulin-dependent mechanisms of action usually lose their effectiveness over time. One such technique is the inhibition of renal glucose reuptake.\u0000\u0000\u0000\u0000Dapagliflozin, the first line of selective sodium-glucose cotransporter 2 inhibitors that re-duce renal glucose reabsorption, is currently being developed as a therapy for Type 2 diabetes. Numerous analytical techniques have been developed for its detection, measurement, and regular quality control procedures.\u0000\u0000\u0000\u0000This review deliberates a thorough discussion on the chemistry of Dapagliflozin, all of its pharmacological actions with analytical and bioanalytical analyses, and more information on the clinical trials.\u0000","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42420397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Understanding nucleophilicity of pyridine-N-oxides towards 2,4,6-trinitrophenylbenzoate through simple absorption spectroscopic studies","authors":"Sarifuddin Gazi, Ladapborlang Mawrie, Fazlur Rahman","doi":"10.2174/2213337210666230808152832","DOIUrl":"https://doi.org/10.2174/2213337210666230808152832","url":null,"abstract":"\u0000\u0000Understanding nucleophilicity of poor nucleophiles like pyridine-N-oxides.\u0000\u0000\u0000\u0000Nucleophilicity plays a vital role in substitution reactions. It helps to determine the possibility and extent of the substitution reactions. The study of the nucleophilicity of poor nucleophiles is challenging, and it has limited substrate scope. Understanding the strength of nucleophilicity of such poor nucleophiles in a quantitative way is important.\u0000\u0000\u0000\u0000Understanding the strength of nucleophilicity of such poor nucleophiles in a quantitative way. Selection of appropriate electrophile for the reactions with the poor nucleophiles-pyridine-N-oxides. Development of suitable methodology for kinetic studies of the reaction.\u0000\u0000\u0000\u0000UV-Vis spectroscopic methods for monitoring the reactions.\u0000\u0000\u0000\u0000The kinetic studies revealed that the second-order rate constants of the nucleophilic reactions are 1.67× 102 L mol-1 minute-1, 2.51 L mol-1 minute-1, 29.8 L mol-1 minute-1, where the nucleophiles are p-methylpyridine-N-oxide, pyridine-N-oxide, and p-nitropyridine-N-oxide, respectively. The UV-Vis spectroscopic analysis revealed the nucleophilicity of p-methylpyridine-N-oxide > pyridine-N-oxide > p-nitropyridine-N-oxide.\u0000\u0000\u0000\u0000This comparative study suggests that the strength of nucleophilicity of the p-methylpyridine-N-oxide is 5.6 times and 66.53 times more than that of pyridine-N-oxide and p-nitropyridine-N-oxide, respectively, whereas the strength of nucleophilicity of the pyridine-N-oxide is 11.87 times more than that of p-nitropyridine-N-oxide.\u0000","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42161885","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Potential uses of topical Resiquimod for Mycosis Fungoides tumor stage","authors":"A. Boretti","doi":"10.2174/2213337210666230731162414","DOIUrl":"https://doi.org/10.2174/2213337210666230731162414","url":null,"abstract":"\u0000\u0000Resiquimod (formula C17H22N4O2, ChEMBL Id 383322) is an immune response modifier that stimulates immune responses to tumor lesions mostly through toll-like receptors (TLR) 7 and 8 dependent pathways.\u0000\u0000\u0000\u0000This study considers the potential use of Resiquimod in the topical treatment of mycosis fungoides tumor stage, for which standard-of-care is radiation therapy which has a very well-known dosage-effects relationship and efficacy, but also side effects, and also the limitation regarding the number of times a same area can be treated during a lifetime.\u0000\u0000\u0000\u0000Trials are suggested to evaluate the use of Resiquimod as a replacement for radiation therapy in case of shallow lesions, as well as a supporting agent to increase the efficacy and reduce the dosage of the radiation therapy, lessening the side effects, and permitting many more uses for a same treatment zone.\u0000\u0000\u0000\u0000This study proposes more research for the possible use of Resiquimod in the standalone or synergetic treatment of MF tumor phase, as there is potential, but not yet evidence, for these uses\u0000","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45689645","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"[BPy][OH] Immobilized Hydrotalcite Clay Catalytic System \u0000for 1,2-dihydroquinazolines Synthesis","authors":"V. Srivastava","doi":"10.2174/2213337210666230726123919","DOIUrl":"https://doi.org/10.2174/2213337210666230726123919","url":null,"abstract":"\u0000\u0000We easily synthesized two ionic liquids, [BMIM][OH] and [BPy][OH], with high yield. We found that hydrotalcite clay, mediated by these ionic liquids, is a highly effective catalyst for synthesizing biologically active 1,2-dihydroquinazoline derivatives. Using a simple reaction protocol and easy product isolation steps, we successfully synthesized 18 different 1,2-dihydroquinazoline derivatives and were able to recycle the catalysts up to 8 times. Overall, the use of hydrotalcite and [BPy][OH] catalysts provide a more efficient and environmentally friendly method for synthesizing quinazolines compared to traditional methods that often require harsh conditions and toxic reagents.\u0000\u0000\u0000\u00001,2-Dihydroquinazolines are an important class of heterocyclic compounds with diverse biological activities, including anticancer, antifungal, and antibacterial properties. They also exhibit other pharmacological activities such as antihypertensive, anti-inflammatory, and antiviral effects. The synthesis of 1,2-dihydroquinazolines dates to the early 20th century when they were first synthesized by Pictet and Huber in 1911 by the condensation of anthranilic acid with aldehydes or ketones in the presence of strong acids. Since then, numerous methods have been developed for their synthesis, including the cyclization of o-aminobenzamides, the reaction of o-aminoaryl ketones with aldehydes or ketones, and the use of catalysts such as Lewis acids and transition metals. In recent years, the development of new synthetic methods for the efficient and selective synthesis of 1,2-dihydroquinazolines has been of great interest to synthetic chemists, particularly in the pharmaceutical industry. These methods include the use of microwave irradiation, ultrasound, and ionic liquids as green solvents. \u0000Overall, the synthesis of 1,2-dihydroquinazolines has been an active area of research, and new methods continue to be developed to improve their synthesis and properties for various applications.\u0000\u0000\u0000\u0000We easily synthesized two ionic liquids, [BMIM][OH] and [BPy][OH], with high yields. We found that hydrotalcite clay, mediated by these ionic liquids, is a highly effective catalyst for synthesizing biologically active 1,2-dihydroquinazoline derivatives.\u0000\u0000\u0000\u0000Overall, our results provide insights into the development of efficient and sustainable methods for the synthesis of 1, 2-dihydroquinazolines.\u0000\u0000\u0000\u0000In summary, our studies demonstrated that the [BPy][OH] ionic liquid and hydrotalcite clay catalytic system could be used for the synthesis of various 1, 2-dihydroquinazolines using different aromatic carbonyl compounds, amino benzophenone derivatives, and heterocyclic aldehydes. The presence of electron-donating substituents in the phenyl group provided higher yields than electron-withdrawing groups, and the para position of the aldehyde group had a more significant effect than the ortho or meta position. Our catalytic system was also found to be recyclable for up to eight runs without significa","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44501333","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Water Mediated Green Method Synthesis of Bioactive Heterocycles Reported Between 2012-2021 Accelerated by Microwave Irradiation: A Decennary Update","authors":"Kantharaju Kamanna, Yamanappagouda Amaregouda","doi":"10.2174/2213337210666230626105521","DOIUrl":"https://doi.org/10.2174/2213337210666230626105521","url":null,"abstract":"\u0000\u0000The diverse field of chemistry demands various greener pathways in our quest to maintain sustainability. The utilization of energy inputs (mechanochemistry, ultrasound, or microwave irradiation), photochemistry, and greener reaction media being applied to organic synthesis are the key trends in the greener and sustainable process development in the current synthetic chemistry. These strategic methods aim to address the majority of the green chemistry principles, developing functional chemicals with less amount of waste production. In the synthesis of biologically potential heterocyclic molecules, green chemistry is a topic of great interest. It encompasses all branches of chemistry and is found in the notion of conducting chemical reactions while also conserving the environment through pollution-free chemical synthesis. Water as a solvent media is an excellent choice of solvent in organic synthesis development in the present day, as it is highly abundant, nontoxic, and non-combustible. Medicinal chemists have recently focused their attention on environmentally friendly procedures that use greener solvent media. Using water as a solvent, several studies on the process of optimization and selectivity have been reported, and the combination with microwave irradiation has emerged as a green chemistry protocol to produce high atom economy and yields. In this review, we have compiled microwave-assisted organic synthesis in aqueous media, including examples of the most cutting-edge methodologies employed for the heterocyclic scaffolds used in medicinal chemistry. It covers the most valuable advanced synthetics taking place in the area of heterocyclic molecule synthesis, between the decennary period of 2012 to 2021. The reported work discusses both synthetic and pharmacological applications.\u0000","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47730013","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Efficient, Green One-Pot Synthesis of Antimicrobial Agents: Functionalized DPTS Catalyst for the Preparation of 2-Amino-4-Aryl-5-Oxo-4H-Chromene-3-Carbonitriles, with Theoretical Calculations","authors":"Razika Beldi, Nadjet Aimene, B. Barhouchi, B. Zouchoune, R. Boulcina","doi":"10.2174/2213337210666230616094312","DOIUrl":"https://doi.org/10.2174/2213337210666230616094312","url":null,"abstract":"\u0000\u0000In the search for a new and effective synthetic approach to biologically chromene-derived compounds, a series of 2-amino-7, 7-dimethyl-5-oxo-4H-tetrahydrochromene-3-carbonitrile derivatives (4a-i) were synthesized. This synthesis involved the use of 4-(dimethylamino)pyridiniump-toluenesulfonate (DPTS) as a catalyst in an aqueous medium. Additionally, the relative stability between isomers was investigated using DFT/B3LYP calculations.\u0000\u0000\u0000\u0000The target compounds were synthesized through a multicomponent reaction of 5,5-dimethyl-1,3-cyclohexanedione (dimedone) 1, various arylaldehydes (2a-i), and malononitrile 3 in water and were recrystallized in ethanol. The reaction was promoted using DPTS, which is a low-toxic, inexpensive, commercially available, and easy-to-handle catalyst.\u0000\u0000\u0000\u0000The catalytic activity of DPTS was investigated in a condensation reaction conducted in an aqueous medium at room temperature. All synthesized compounds displayed considerable antimicrobial activities against human pathogenic bacteria and fungi.\u0000\u0000\u0000\u0000The developed synthetic protocol demonstrates energy efficiency, shorter reaction time, environmental friendliness, high product yields with purity, and scalability to gram-scale synthesis. DPTS proved to be a valuable contribution to the field of organocatalysis. The synthesized compounds were screened for in vitro antimicrobial activities, demonstrating varying potency against the microbial strains. Compound 4h exhibited the most potent activity with a zone of inhibition (ZOI) measuring 15 mm against E.coli. This was followed by compounds 4b, 4d, 4f, and 4g, which displayed a ZOI of 12 mm. Furthermore, the antifungal results revealed promising anticandidal activity for compounds 4b, 4e, and 4h, with a lower minimum inhibitory concentration (MIC) of 0.031 mg/ml. In addition, molecular electrostatic potential (MEP) mapping, reactivity indices such as electronegativity, electrophilic index, softness, and hardness, as well as frontier molecular orbitals (HOMO-LUMO), were used to provide further evidence regarding the stability and reactivity of the synthesized products.\u0000","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43912028","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"5‑Sulphosalicylic acid: An expeditious Organocatalyst for one‑pot synthesis of Indenopyrazolones and its derivatives","authors":"Archana Jyoti, Smriti Kushwaha, Swastika Singh, J. Baranwal","doi":"10.2174/2213337210666230609150318","DOIUrl":"https://doi.org/10.2174/2213337210666230609150318","url":null,"abstract":"\u0000\u0000An efficient, 5‑Sulphosalicylic acid (5- SSA) catalysed green protocol for the synthesis of Indenopyrazolones and its derivatives is reported under metal-free conditions in an ethyl lactate system. The main advantages of this procedure include the use of an organocatalyst, ethyl lactate as a recyclable promoting media, practical simplicity, high yields, shorter reaction times, atom economy, and ease of isolation of the product. These results showed that aromatic aldehydes with electron-withdrawing groups reacted faster than aldehydes with electron-releasing groups as expected. According to these observations, aromatic aldehydes with electron-withdrawing groups reacted more quickly than aldehydes with electron-releasing groups.\u0000","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46616554","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Meet the Editorial Board Member","authors":"A. Hajra","doi":"10.2174/221333721002230717115454","DOIUrl":"https://doi.org/10.2174/221333721002230717115454","url":null,"abstract":"<jats:sec>\u0000<jats:title />\u0000<jats:p />\u0000</jats:sec>","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48262654","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}