Research on Chemical Intermediates最新文献

{"title":"Effect of Zn on performance of Ni/Al2O3–MgO catalyst for dry reforming of methane: enhancing activity and remarkably suppressing graphitization of carbonaceous deposit","authors":"Jie Yang,&nbsp;Hailong Fang,&nbsp;Huanjin Jiang,&nbsp;Wenhao Wang,&nbsp;Jixiang Chen","doi":"10.1007/s11164-025-05621-5","DOIUrl":"10.1007/s11164-025-05621-5","url":null,"abstract":"<div><p>MgO–Al₂O₃-supported metallic Ni and bimetallic Ni–Zn catalysts (referred as Ni/MgAl and Ni_xZn/MgAl with the Ni/Zn atomic ratio of <i>x</i>, respectively) were prepared by the coprecipitation method, and their performance for methane dry reforming (DRM) was tested on an atmospheric quartz fixed-bed. The XRD, magnetic measurement, H₂-TPR, TEM/EDS and XPS results demonstrate that metallic Ni and Ni–Zn alloy form in Ni/MgAl and Ni_xZn/MgAl, respectively. With reducing the Ni/Zn atomic ratio, the amount of surface Ni sites decreases, while the CO₂ adsorption capacity and strength increase due to the presence of Zn. Ni_xZn/MgAl gives higher activity than Ni/MgAl for DRM, mainly due to the suppression of carbon deposition and graphitization on Ni–Zn alloy and the enhanced adsorption of CO₂. Under the condition of 800 °C, CH₄/CO₂ molar ratio of 1 and weight hourly space velocity of 20,000 mL g_cat⁻¹ h⁻¹, Ni/MgAl gives the CH₄ and CO₂ conversions of 76% and 80%, respectively. With decreasing Ni/Zn atomic ratio from 7 to 2, the CH₄ and CO₂ conversions on Ni_xZn/MgAl first increase and then decrease, and Ni₅Zn/MgAl has the highest activity with the CH₄ and CO₂ conversions of 81% and 87%, respectively. During the time on stream of 100 h at 800 °C, Ni₅Zn/MgAl exhibits better stability than Ni/MgAl, mainly ascribed to its less amount of filamentous graphite carbon. In all, the formation of Ni–Zn alloy enhances the catalyst activity and remarkably suppresses the graphitization of carbonaceous deposit.</p></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 9","pages":"4755 - 4779"},"PeriodicalIF":3.5,"publicationDate":"2025-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144918554","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Pd–Cu bimetallic catalyst supported on activated carbon for the efficient and selective reductive synthesis of procaine","authors":"Yingjiao Wang,&nbsp;Piaopiao Jiang,&nbsp;Guilong Hu,&nbsp;Ling Huang,&nbsp;Qintao Wang,&nbsp;Chunshan Lu,&nbsp;Xiaoliang Xu,&nbsp;Feng Feng,&nbsp;Qunfeng Zhang,&nbsp;Xiaonian Li","doi":"10.1007/s11164-025-05658-6","DOIUrl":"10.1007/s11164-025-05658-6","url":null,"abstract":"<div><p>Green catalytic hydrogenation has been widely adopted in pharmaceutical synthesis due to its efficiency and environmental compatibility. However, industrial synthesis of procaine hydrochloride still predominantly relies on chemical reduction methods, which means green catalytic hydrogenation remains underutilized. This study presents a novel Pd–Cu bimetallic catalyst for the green hydrogenation synthesis of procaine hydrochloride. Compared with chemical reduction methods, this catalyst demonstrates a significantly enhanced reaction yield while addressing persistent challenges in traditional Pd/C catalytic hydrogenation systems, including agglomeration, instability, low selectivity, and poor activity. Comprehensive characterization, including field emission scanning electron microscope (FE-SEM), high-resolution transmission electron microscopy (HR-TEM), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS), was employed to analyze the structural and morphological properties of the synthesized catalysts. We reveal that the incorporation of an optimal copper content reduces the size of catalyst particles and increases the number of active sites. These structural advantages, combined with the introduction of copper, facilitate the adsorption of nitrogen-containing compounds, achieving a conversion rate of 99.7% and a selectivity of 99.1%, thereby effectively addressing the low-yield limitations of conventional catalytic hydrogenation. Furthermore, the catalyst exhibits excellent recyclability, maintaining its activity without significant loss of performance over multiple reaction cycles. These attributes position the Pd–Cu bimetallic system as a scalable and environmentally sustainable catalyst for industrial applications.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 9","pages":"4705 - 4726"},"PeriodicalIF":3.5,"publicationDate":"2025-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144918553","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design and synthesis of a new heterogeneous metal–organic framework-based nanocatalyst (Pd@TMU-17-NH2-Glu-Mla) with excellent performance toward Suzuki coupling reactions","authors":"Fatemeh Mohammadi,&nbsp;Ameneh Kiani,&nbsp;Heshmatollah Alinezhad","doi":"10.1007/s11164-025-05668-4","DOIUrl":"10.1007/s11164-025-05668-4","url":null,"abstract":"<div><p>The immobilization of metal species onto solid supports is a key strategy in developing efficient heterogeneous catalysts, offering advantages such as enhanced stability, recyclability, and ease of separation. Among various support materials, metal–organic frameworks (MOFs) have attracted considerable attention due to their high surface area, tunable porosity, and versatile functionalization capabilities. These features make MOFs ideal candidates for stabilizing active metal species and preventing nanoparticle aggregation, thereby improving catalytic performance. In this study, a novel Pd-based heterogeneous nanocatalyst was synthesized using TMU-17-NH₂ as the MOF support. The framework was functionalized with glutaraldehyde (Glu) and melamine (Mla) to introduce active anchoring sites for palladium nanoparticles. The resulting catalyst, Pd@TMU-17-NH₂-Glu-Mla, was successfully applied in the Suzuki–Miyaura cross-coupling reaction, exhibiting excellent catalytic activity and high product yields under mild conditions. Furthermore, the catalyst retained its performance over five consecutive reaction cycles with negligible loss of efficiency, confirming its stability and reusability.</p></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 9","pages":"5131 - 5150"},"PeriodicalIF":3.5,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144918488","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Application of a mesoporous structure as an efficient catalyst for the rapid and green synthesis of uracil derivatives in a recyclable environment","authors":"Eman A. Alabdullkarem,&nbsp;Saad Alrashdi,&nbsp;Mohammed Asiri,&nbsp;Fadhil Sead,&nbsp;Subbulakshmi Ganesan,&nbsp;Subhashree Ray,&nbsp;Aashna Sinha,&nbsp;Krishan Kumar Sah,&nbsp;I. B. Sapaev,&nbsp;Yassin T. H. Mehdar","doi":"10.1007/s11164-025-05666-6","DOIUrl":"10.1007/s11164-025-05666-6","url":null,"abstract":"<div><p>This study describes a benign, rapid, and highly efficient practical approach for synthesizing bis(6-amino-1,3-dimethyluracil-5-yl) methanes using 1,4-bis(pyridin-1-ium)benzene trifluoroacetate coordinated to chloropropyl functionalized SiO₂-nano-NiFe₂O₄ (BPTCSBF) as a bi-functional and reusable mesoporous catalyst in a recyclable green media. The catalytic scope of bi-functional BPTCSBF with acidic (~ NH⁺) and basic (CF₃COOˉ) sites was very broad and useful, as it rapidly produced products (1a–15a) from the reaction of various aryl-aldehydes with 6-amino-1,3-dimethyluracil in excellent yields (90–98%, 7–17 min) under optimal conditions (0.01 g catalyst, 60 °C, 1 mL EtOH:H₂O). This generality and high functionality were backed by the presentation of a rational mechanism. Easy magnetic separation of the catalyst with an external magnet, suitable one-pot procedure, high reproducibility of the catalyst with brilliant performance up to eight cycles, mild temperature, easy work-up, and synthesis/characterization of new derivatives to the literature are other highlights of the current work.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 8","pages":"4191 - 4214"},"PeriodicalIF":3.5,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145163113","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Evaluation of peroxidase mimicking activity of ultrathin silver nanowire-intercalated 2D-Ti3C2 MXene hybrid","authors":"Mallappa Mahanthappa,&nbsp;Pattan-Siddappa Ganesh,&nbsp;Hyun-U. Ko,&nbsp;Mani Duari,&nbsp;Sang-Youn Kim","doi":"10.1007/s11164-025-05670-w","DOIUrl":"10.1007/s11164-025-05670-w","url":null,"abstract":"<div><p>The advancement of nanomaterials with improved peroxidase (POD)-like activity via rationally designed is of great significance in both biological and artificial catalysis fields. In this work, MXene–NH₂ (Ti₃C₂T_<i>x</i>-NH₂) was synthesized by etching and delamination of MAX phase (Ti₃AlC₂) using LiF/HCl (form in situ HF) and followed by amination under the hydrothermal approach. Then, the MXene–NH₂–AgNWs were obtained through the chemical interaction between amine moieties (–NH₂) on the MXene surface and silver nanowires (AgNWs). Compared to the natural enzyme (horseradish peroxidase), the MXene–NH₂–AgNWs nanocomposite exhibited improved peroxidase-like catalytic activity toward 3,3′,5,5′-tetramethylbenzidine (TMB) oxidation. The observed result can be attributed to the MXene–NH₂–AgNWs nanocomposite, which enhanced the affinity for H₂O₂ and the TMB, suggesting its promising potential alternative for peroxidase mimics studies. The remarkable peroxidase-like activity of MXene–NH₂–AgNWs is attained due to being closely accompanied by the distinctive-layered structure of MXene and the synergistic effects between the AgNWs and MXene–NH₂ structure which enhances reaction kinetics. As a result, we expect that further research into the application of the synthesized catalyst might bring prospective benefits mimicking enzyme catalysis.</p></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 10","pages":"5923 - 5939"},"PeriodicalIF":3.5,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145037051","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigation and characterization of NiO/MnFe2O4 nanocomposite for rapid synthesis of 1,5 benzodiazepine compounds under microwaves in green solvent","authors":"Anjan Kumar,&nbsp;Shaker Al-Hasnaawei,&nbsp;Pinank Patel,&nbsp;M. Manjula,&nbsp;Gauri Chauhan,&nbsp;Karthikeyan Jayabalan,&nbsp;Rajashree Panigrahi,&nbsp;Aashna Sinha,&nbsp;Sumit Pokhriyal,&nbsp;Kamran Hedayat","doi":"10.1007/s11164-025-05669-3","DOIUrl":"10.1007/s11164-025-05669-3","url":null,"abstract":"<div><p>In this study, we focused on the use of an advanced nanocomposite, namely NiO/MnFe₂O₄, as a heterogeneous yet recyclable catalyst in an organic synthesis process. The main goal was the rapid and efficient synthesis of valuable 1,5-benzodiazepine derivatives. These compounds were obtained through a condensation reaction between 2-phenylenediamine and various chalcones. The outstanding feature of this method was that the reaction was carried out in completely solvent-free conditions using microwave radiation energy. One of the key advantages of this catalyst is its very high efficiency and remarkable reactivity. In addition, due to its magnetic properties, this catalyst can be easily separated from the reaction medium using a simple magnet, which facilitates its recovery and reuse and contributes significantly to the stability of the process. In order to better understand the properties of this nanocomposite, detailed investigations were carried out on its structure and morphology. These investigations were carried out using advanced analytical techniques such as X-ray diffraction, scanning electron microscopy and energy dispersive X-ray spectroscopy. The results of these analyses showed that the average particle diameter of the synthesized nanocomposite is about 65 nm, which plays an important role in increasing the active surface area of the catalyst and improving its performance. BET analysis revealed that the nanocomposite possesses a specific surface area of 7.56 m²/g and a pore diameter of 3.45 nm, which significantly enhance its catalytic activity. The use of microwaves in a solvent-free environment has significant advantages over traditional thermal methods. This method provides a fast, simple and safe process. Compared to conventional methods, the microwave method leads to higher yields and higher purity of the final product, while also minimizing energy consumption and waste generation. This makes it an attractive and environmentally friendly option for the synthesis of 1,5-benzodiazepine derivatives.</p></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 8","pages":"4215 - 4235"},"PeriodicalIF":3.5,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145162243","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Non-covalent functionalization of graphene nanoplate (NG) with surfactants developed for anti-inflammatory drug delivery applications","authors":"H. Alimadadi,&nbsp;A. Yahyazadeh,&nbsp;A. Soltani,&nbsp;B. Sharifzadeh,&nbsp;N. O. Mahmoodi","doi":"10.1007/s11164-025-05650-0","DOIUrl":"10.1007/s11164-025-05650-0","url":null,"abstract":"&lt;div&gt;&lt;p&gt;The non-covalent functionalization of graphene nanoplate (GN) with Tween 80 (T80) and polyvinyl alcohol (PVA) was developed for anti-inflammatory drug delivery applications. This approach, based on the nonideal mixed micelle theory of surfactants, aims to enhance the surface properties of a carrier, potentially increasing surface area for improved drug loading and controlled release. This system exhibits a high drug loading efficiency (DLE) of 85 ± 2% and a significant drug loading content (DLC) of 28.33 ± 1.5%, making it highly efficient for drug encapsulation. The potential for controlled release, high thermal stability, and enhanced biocompatibility further emphasizes its suitability for anti-inflammatory drug delivery applications. FTIR and NMR spectroscopy confirmed hydrogen bonding interactions between GN-T80-PVA nanocomposite (GNTP). The Indomethacin (IDM) components, while TGA analysis revealed high thermal stability up to 350 °C. The morphology of functionalization of GN with T80 and polyvinyl alcohol (GNTP) nanoparticles was investigated using field emission scanning electron microscopy (FESEM), revealing a spherical shape with an average diameter of  ~ 50 nm. This study demonstrates that incorporating IDM and GN into a PVA/T80 matrix significantly influences nanoparticle size distribution during sonication-based preparation. The presence of IDM likely stabilizes the nanoparticles during their formation, which could lead to this change in size distribution. The change in particle size distribution suggests that the addition of IDM and GN could have a dual effect, leading to greater homogeneity. The drug solution in UV 200 to 800 nm of IDM exhibited a characteristic peak at 320 nm (λ&lt;sub&gt;max&lt;/sub&gt;). The EtOH solvent of GN showed no significant absorbance in the measured range. Upon formation of the IDM-GN complex, new absorbance bands appeared at 215, 238, and 321 nm, confirming successful drug loading onto the GN. Absolute zeta potential values &gt;|30| mV are considered indicative of good colloidal stability. Combined TGA–DSC analysis of drug-loaded and unloaded nanocomposites (0–350°C) was completed. FESEM and powder X-ray diffraction (PXRD) data further substantiated successful IDM encapsulation, indicating an amorphous dispersion within the PVA/T80/GN nanocomposite with controlled aggregate size. Creating an amorphous solid dispersion is one way to improve bioavailability and increase the effectiveness of a drug. PXRD confirmed the monoclinic allotropic nature of the nanoparticles. A graph illustrating the release kinetics indicates that PVA-T80-GN nanocomposite successfully slows down IDM release, indicating that only about 40% of the IDM was released after 5 h and approximately 60% after 20 h. This shows a controlled-release mechanism. Creating an amorphous solid dispersion is one way to improve bioavailability and increase the effectiveness of a drug. Allotropy is a very important property for materials; these allotropic ","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 8","pages":"4647 - 4664"},"PeriodicalIF":3.5,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145161426","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The effect of phosphorus modification and sequential acidification on the NH3-SCR performance of composite metal oxide catalysts","authors":"Xinyu Li,&nbsp;Jingqi Li,&nbsp;Na Li","doi":"10.1007/s11164-025-05653-x","DOIUrl":"10.1007/s11164-025-05653-x","url":null,"abstract":"<div><p>This study investigated the effects of sequential acid treatment and phosphorus incorporation on the performance of Fe–Mn-Ce composite metal oxide catalysts. The FeMnCeO_<i>x</i> catalyst was prepared using the sol–gel method and modified through two methods: treatment with phosphoric acid alone and a sequential treatment with phosphoric acid followed by sulfuric acid. The results show that the sequentially acid-treated catalyst exhibited over 90% NO_<i>x</i> conversion and N₂ selectivity in the temperature range of 200–350 °C, outperforming other catalysts. Characterization analyses such as XRD and NH₃-TPD revealed that acid modification enhanced the surface acidity and redox properties of catalysts. XPS analysis showed that sequential acid treatment increased the surface chemisorbed oxygen content of the catalyst and optimized its surface structure. In-situ DRIFTS spectroscopy further elucidated that the catalytic reaction follows both Langmuir–Hinshelwood and Eley–Rideal mechanisms concurrently.</p></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 8","pages":"4045 - 4064"},"PeriodicalIF":3.5,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145161705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergetic green synthesis of CuO, ZnO, and CuO-ZnO nanocomposite nanoparticles using Genista hispanica L. extract for enhanced photocatalytic and antioxidant properties","authors":"Warda Azabi,&nbsp;Noureddine Gherraf,&nbsp;Alberto Romero,&nbsp;Johar Amin Ahmed Abdullah","doi":"10.1007/s11164-025-05663-9","DOIUrl":"10.1007/s11164-025-05663-9","url":null,"abstract":"<div><p>In this study, CuO, ZnO, and CuO-doped ZnO (CuO-ZnO) nanocomposite nanoparticles were synthesized using a green approach, with <i>Genista hispanica L</i>. extract as a capping and reducing agent. The effects of extract concentration and calcination on the nanoparticle’s (NPs) morphological, structural, and optical properties were analyzed. The nanoparticles were characterized by UV–Visible (UV‒Vis), Fourier Transform Infrared (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), and zeta potential (ZP) measurements. X-ray diffraction confirmed monoclinic and hexagonal structures, with average sizes of 11.1, 13.0, and 8.8 nm after calcination for CuO, ZnO, and CuO-ZnO nanocomposite nanoparticles at 30 g of extract. SEM images showed reduced particle sizes (10.5, 8.7, and 8.4 nm) with increased extract concentration and calcination. The CuO-ZnO nanocomposite (NCs) demonstrated enhanced stability with a zeta potential of −12.23 mV. At the same time, CuO and ZnO nanoparticles exhibit a stability of −17.5 mV and −7.5 mV, respectively. Photocatalytic degradation of Methylene Blue (MB) revealed a maximum photodegradation rate of 38%, 27% for CuO and ZnO nanoparticles, and 87% for CuO-ZnO nanocomposite in 120 min, attributed to their synergistic effect. Antioxidant tests confirmed the superior scavenging activity of CuO-ZnO nanocomposites compared to individual oxides. Higher extract concentrations enhanced phytochemical content, resulting in smaller nanoparticles, while calcination improved purity. These results demonstrate the potential of CuO-ZnO nanocomposites for photocatalytic and antioxidant applications.</p></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 8","pages":"4491 - 4517"},"PeriodicalIF":3.5,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145160943","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Selectively building C=S bond of 3-aroylflavone into novel 3-aroyl-4-thioflavone scaffold via thionation by Lawesson’s reagent","authors":"Tung-Phong Dinh,&nbsp;Quan Minh Vo,&nbsp;Dung My Thi Ho,&nbsp;Tuyen Ngoc Thi Pham,&nbsp;Son Ngoc Tran,&nbsp;Thi Xuan Thi Luu","doi":"10.1007/s11164-025-05665-7","DOIUrl":"10.1007/s11164-025-05665-7","url":null,"abstract":"<div><p>Lawesson’s reagent, a well-known thionating reagent, has been applied for the thionation of the 3-aroylflavones that contain two C=O groups. Selective thionation of one C=O group in the 3-aroylflavones to afford novel 3-aroyl-4-thioflavones has occurred preferably than conversion of two C=O groups. Twenty novel 3-aroyl-4-thioflavone derivatives were synthesized with isolated yields ranging from 50 to 96% within 15–90 min. Density functional theory (DFT) studies have been employed for further investigation on the reactivities, product stability, and the thermodynamic value of the thionation reaction of 3-aroylflavone with LR. The lower energy level of band gap obtained from the calculation of HOMO and LUMO energy levels combined with thermodynamic parameters and energy disparity are the main explanation for the less existence of 3-(phenylcarbonothioyl)-4-thioflavone. Furthermore, the FT–IR, ¹H-NMR, and ¹³C-NMR data of typical 3-aroylflavone and corresponding 3-aroyl-4-thioflavone have also been compared to find an interesting structural interpretation.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 8","pages":"4237 - 4260"},"PeriodicalIF":3.5,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145160836","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}