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Hybridization of CuO and AlPO4 framework to produce a novel nanoporous material of CuO-AlPO4 CuO与AlPO4骨架的杂化制备新型CuO-AlPO4纳米多孔材料
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-08-23 DOI: 10.1080/10426507.2025.2551070
Karthika Devi (Writing – original draft) , Chellapandian Kannan (Supervision)
Global warming and CO2 decomposition are interconnected, as CO2 is a major contributor to global warming. One potential approach to mitigating global warming is decomposing CO2 to release oxygen into the atmosphere. In order to decompose the CO2, we have synthesized CuO-AlPO4 by using tetrapropylammonium hydroxide as a template. It is characterized by XRD, FT-IR, BET, TGA, TPD and TEM analyses. XRD results proved that the novel structure of CuO-AlPO4 is formed with two crystal systems, creating a hybrid framework. Aluminophosphate is in a tetrahedral framework and in CuO, the Cu2+ ions are coordinated in a linear way with tetrahedral oxygen (O2−). So, there is a charge transfer transition between O2− and Cu2+ ions, which is proved by UV–Vis spectra. The formation of this hybrid framework may be influenced by the orientation of the template molecules. The hybridization of the frameworks facilitates the generation of oxide ions (O2−), which are highly active in decomposing CO2 at a lower temperature compared to previous literature. The maximum CO2 conversion and oxygen selectivity achieved are 98% and 91%, respectively.
全球变暖和二氧化碳分解是相互关联的,因为二氧化碳是导致全球变暖的主要因素。缓解全球变暖的一个潜在方法是分解二氧化碳,将氧气释放到大气中。为了分解CO2,我们以四丙基氢氧化铵为模板合成了CuO-AlPO4。通过XRD、FT-IR、BET、TGA、TPD和TEM等分析对其进行了表征。XRD结果证明,新型CuO-AlPO4由两种晶体体系组成,形成了杂化骨架。磷酸铝呈四面体结构,在CuO中,Cu2+离子与四面体氧(O2−)呈线性配位。因此,在O2−和Cu2+离子之间存在电荷转移跃迁,紫外可见光谱证实了这一点。这种杂化框架的形成可能受到模板分子取向的影响。框架的杂化促进了氧化离子(O2−)的生成,与以前的文献相比,氧化离子在较低的温度下分解CO2具有高活性。最大CO2转化率和氧选择性分别为98%和91%。
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引用次数: 0
Parametric optimization of electro discharge machining for A356/TiB2 composite using neem oil dielectric: Machining performance and surface morphology analysis 印楝油介质下A356/TiB2复合材料电火花加工参数优化:加工性能及表面形貌分析
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-08-22 DOI: 10.1080/10426507.2025.2551069
C. Rajaravi (Conceptualization Methodology Supervision Visualization Writing – review & editing) , U. Elaiyarasan (Conceptualization Investigation Methodology Project administration Validation Writing – original draft)
A356 is a lightweight and high-strength aluminum alloy with excellent corrosion resistance, widely used in aerospace, automotive, and marine applications. However, machining of titanium diboride (TiB2)-reinforced A356 aluminum alloy using unconventional machining methods remains challenging due to the high thermal conductivity and low electrical conductivity, affecting machining efficiency and surface integrity. This study investigates electrical discharge machining (EDM) of A356-10TiB2 composite fabricated via stir casting, using neem oil dielectric fluid. The composite exhibited a hardness of 78.33 BHN. The EDM process was optimized using response surface methodology (RSM) to minimize surface roughness (SR) and maximize material removal rate (MRR) by varying supplied current (SC), pulse on time (Ton), and pulse off time (Toff). The correlation coefficients for MRR and SR were 99.07% and 99.91%, respectively. MRR and SR initially increased with SC, Ton, and Toff but decreased at higher levels. Higher SC and Ton increased ionization temperature, enhancing MRR, while lower values caused cracks and globules. Optimal parameters (SC = 10 A, Ton = 62 µs, Toff = 7 µs) yielded a maximum MRR of 0.211 g/min and minimum SR of 4.34 µm. The optimization error was 1.9% (MRR) and 3.97% (SR), with desirability score of 0.9865 confirming the reliability of the models.
A356是一种轻质高强铝合金,具有优异的耐腐蚀性,广泛用于航空航天,汽车和船舶应用。然而,采用非常规的加工方法加工二硼化钛(TiB2)增强A356铝合金,由于其高导热性和低导电性,影响了加工效率和表面完整性,仍然具有挑战性。研究了搅拌铸造A356-10TiB2复合材料在印楝油介质下的电火花加工。复合材料的硬度为78.33 BHN。利用响应面法(RSM)优化电火花加工工艺,通过改变供电电流(SC)、脉冲接通时间(Ton)和脉冲关闭时间(Toff)来最小化表面粗糙度(SR)和最大化材料去除率(MRR)。MRR和SR的相关系数分别为99.07%和99.91%。MRR和SR最初随着SC、Ton和Toff的增加而增加,但随着SC、Ton和Toff的增加而降低。较高的SC和Ton增加了电离温度,提高了MRR,而较低的SC和Ton则导致了裂缝和球团。最佳参数(SC = 10 A, Ton = 62µs, Toff = 7µs)的最大MRR为0.211 g/min,最小SR为4.34µm。优化误差为1.9% (MRR)和3.97% (SR),理想评分为0.9865,证实了模型的可靠性。
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引用次数: 0
Carbothermal reduction behavior of quartz resources at elevated temperatures 石英资源在高温下的碳热还原行为
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-08-21 DOI: 10.1080/10426507.2025.2551102
Fei Li (Conceptualization Funding acquisition Methodology Project administration Resources Supervision Writing – original draft Writing – review & editing) , ZeDong Han (Data curation Formal analysis Investigation Methodology Project administration Visualization Writing – original draft) , HanZe Wu (Data curation Formal analysis Writing – original draft)
Industrial silicon is a vital raw material in renewable energy sectors, such as solar photovoltaic panels and silicon-based anode materials. However, its production process is highly energy-intensive, consuming as much as 11 to 13 megawatt-hours (MWh) of electricity for every ton produced, which accounts for over 25% of the total production cost. Therefore, improving production techniques and reducing energy consumption are key focal points for future development. Research indicates that silicon sources from different regions exhibit significant differences in reactivity, directly affecting the production efficiency of industrial silicon. The Carbon-Silicon Composite Agglomerate (CSCA) technology contributes to effective resource utilization, improves temperature distribution within submerged arc furnaces, and enhances the formation rates of silicon carbide and silicon oxide. This study evaluates the reaction behavior of different silica sources under varying temperatures, carbon-silicon ratios, and particle sizes, along with calculations of activation energy. Based on the reactivity matching assessment, Q2 and Q3 quartz have been identified as ideal raw materials for industrial silicon production. The activation energies for these three quartz types are 269 kJ·mol−1, 319 kJ·mol−1, and 341 kJ·mol−1, respectively. These findings provide significant insights for the industrial silicon industry in selecting raw materials and optimizing the CSCA production process.
工业硅是可再生能源领域的重要原材料,如太阳能光伏板和硅基阳极材料。然而,它的生产过程是高度能源密集型的,每生产一吨要消耗11到13兆瓦时(MWh)的电力,占总生产成本的25%以上。因此,提高生产技术和降低能源消耗是未来发展的重点。研究表明,不同地区的硅源在反应性上存在显著差异,直接影响工业硅的生产效率。碳硅复合团聚体(CSCA)技术有助于有效地利用资源,改善埋弧炉内的温度分布,提高碳化硅和氧化硅的形成速度。本研究评估了不同硅源在不同温度、碳硅比和粒径下的反应行为,并计算了活化能。根据反应性匹配评估,Q2和Q3石英已被确定为工业硅生产的理想原料。这三种石英的活化能分别为269 kJ·mol−1、319 kJ·mol−1和341 kJ·mol−1。这些发现为工业硅行业选择原料和优化CSCA生产工艺提供了重要的见解。
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引用次数: 0
Investigation of novel imidazo[1,2-a]pyrazine derivatives as antiproliferative agents and their enzymatic inhibition effect against MMP-9 新型咪唑[1,2-a]吡嗪衍生物抗增殖作用及其对MMP-9酶抑制作用的研究
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-08-18 DOI: 10.1080/10426507.2025.2548920
Amal A. AL-Sharabi (Formal analysis Investigation Methodology Validation Visualization Writing – original draft Writing – review & editing) , Sana Saffour (Data curation Investigation Methodology Validation Visualization) , Asaf Evrim Evren (Formal analysis Investigation Methodology Software Validation Visualization Writing – review & editing) , Abd Al Rahman Asfour (Methodology Validation Visualization Writing – review & editing) , Halide Edip Temel (Data curation Methodology Validation Visualization) , Gülşen Akalin Çiftçi (Investigation Methodology Validation Visualization) , Leyla Yurttaş (Conceptualization Data curation Formal analysis Investigation Methodology Project administration Resources Supervision Validation Visualization Writing – review & editing) , Gülhan Turan (Project administration Supervision)
Ten N-(2/3/4-substituted phenyl)-2-(imidazo[1,2-a]pyrazin-2-carbonyl)hydrazin-1-carbothioamide derivatives (2a–2j) were synthesized, analyzed utilizing 1H-NMR,13C-NMR, and HRMS. Their antiproliferative activity against the cancerous A549 cell line, and the healthy L929 cell line as well as their potential enzymatic inhibition effect against matrix metalloproteinase-9 (MMP-9) were evaluated. In terms of cytotoxicity, none of the compounds show similar activity against the A549 cell line compared to the reference cisplatin, however, derivatives 2h and 2i that contain 2-chlorophenyl and 3-chlorophenyl moieties, respectively had the highest potency compared to other derivatives, while none of the compounds were cytotoxic against the normal L929 cell line. In terms of MMP-9 inhibition activity, compounds 2f and 2g were the most potent inhibitors compared to other derivatives with % inhibitions of 46.54 and 26.81, respectively. The binding of compound 2f with the ion Zn301 and its bonding amino acids His 230 and His 226 are noticed to be the characteristic interactions that significantly affect the inhibition of MMP-9 enzyme according to the docking studies.
合成了10个N-(2/3/4-取代苯基)-2-(咪唑[1,2-a]吡嗪-2-羰基)肼-1-碳硫酰胺衍生物(2a-2j),利用1H-NMR、13C-NMR和HRMS对其进行了分析。研究了其对肿瘤细胞系A549和健康细胞系L929的抗增殖活性以及对基质金属蛋白酶-9 (MMP-9)的潜在酶抑制作用。在细胞毒性方面,这些化合物对A549细胞系的活性与对照顺铂没有相似之处,但含有2-氯苯基和3-氯苯基的衍生物2h和2i的效力分别高于其他衍生物,而这些化合物对正常的L929细胞系都没有细胞毒性。在抑制MMP-9活性方面,化合物2f和2g是最有效的抑制剂,其抑制率分别为46.54%和26.81%。对接研究发现,化合物2f与离子Zn301的结合及其键合氨基酸His 230和His 226是显著影响MMP-9酶抑制的特特性相互作用。
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引用次数: 0
Synthesis, antioxidant activity, molecular docking, drug likeness and DFT studies of 1,2,4-triazole Schiff bases clubbed with heterocyclic moieties using Amberlite IR-4B as a catalyst 以Amberlite IR-4B为催化剂的1,2,4-三唑希夫碱的合成、抗氧化活性、分子对接、药物相似性和DFT研究
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-08-16 DOI: 10.1080/10426507.2025.2548582
Somaia M. Abdel-Kariem (Conceptualization Data curation Formal analysis Investigation Methodology Project administration Resources Software Supervision Validation Visualization Writing – original draft Writing – review & editing) , Tarik E. Ali (Data curation Formal analysis Investigation Methodology Resources Software Visualization Writing – original draft Writing – review & editing) , Abeer A. H. Bukhari (Formal analysis Methodology Project administration Supervision Writing – review & editing)
The need to develop powerful antioxidant agents capable of combating resistant infections without compromising human health has motivated significant research for novel antioxidant compounds. In this study, a series of simple 4-amino-5-methyl-4H-1,2,4-triazole-3-thiol-based Schiff bases were synthesized to investigate their potential as potent antioxidant agents. The methodology involved merging aromatic aldehydes, furan, pyrazole, chromone, and coumarin moieties into a single molecular framework, using Amberlite IR-4B as an acidic catalyst. The structures of compounds 2am were confirmed through various spectroscopic techniques and elemental analysis. Additionally, theoretical studies, including in silico computations using the Swiss ADME server, molecular modeling, and Density Functional Theory (DFT) calculations, provided further evidence of the efficiency and stability of the synthesized compounds. Among the series, compound 2b exhibited the most prominent antioxidant activity (2.25 ± 0.18 µg/mL), outperforming the standard. Moreover, molecular docking studies revealed that the investigated bioactive compounds occupy the same binding cavity as the well-known antioxidant ascorbic acid (ASC).
由于需要开发强大的抗氧化剂,能够在不损害人体健康的情况下对抗耐药感染,因此对新型抗氧化剂化合物进行了大量研究。本研究合成了一系列简单的4-氨基-5-甲基- 4h -1,2,4-三唑-3-硫醇基希夫碱,以研究它们作为有效抗氧化剂的潜力。该方法包括将芳香醛、呋喃、吡唑、色素和香豆素部分合并到一个单一的分子框架中,使用Amberlite IR-4B作为酸性催化剂。化合物2a-m的结构通过各种光谱技术和元素分析得到了证实。此外,理论研究,包括使用瑞士ADME服务器的计算机计算,分子建模和密度泛函理论(DFT)计算,进一步证明了合成化合物的效率和稳定性。其中化合物2b的抗氧化活性最高(2.25±0.18µg/mL),优于标准。此外,分子对接研究表明,所研究的生物活性化合物与众所周知的抗氧化剂抗坏血酸(ASC)具有相同的结合腔。
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引用次数: 0
Phosphorus status and strategies to increase P use efficiency for sustainable crop production 磷素现状及提高作物可持续生产磷素利用效率的对策
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-08-14 DOI: 10.1080/10426507.2025.2548584
Sanjeev Kumar K G (Visualization Writing – original draft) , Parasuraman P (Supervision Writing – review & editing) , Kannan P (Conceptualization Supervision) , Manivannan V (Resources) , Senthil A (Visualization Writing – review & editing)
Phosphorus (P) is an essential nutrient for plant growth and plays a crucial role in various biochemical processes within plants. However, the availability of P in soil is often limited, leading to reduced crop yields and potential environmental issues associated with excessive fertilizer application. Thus, understanding the P status in agricultural soils and implementing effective strategies to enhance P utilization is critical for sustainable crop production. The understanding of P dynamics in soil and its implications for crop productivity is essential for developing innovative approaches and technologies aimed at improving P use efficiency in agriculture. Several factors influence P availability for example, soil properties, nutrient management practices and environmental factors. Further management techniques such as efficient P application methods, breeding for improved P uptake, biofertilizers and bio-inoculants, intercropping and crop rotation, organic amendments, composting, nano-phosphatic fertilizers, variable-rate applicators, and the use of biochar and struvite are resulting greater changes in P availability and use. In addition to this, the environmental implications of excessive P application and mitigation measures are discussed, including soil and water conservation practices, soil P management, nutrient management planning, and policy and outreach strategies. This review emphasizes the need for a holistic approach to P management, considering both agronomic and environmental aspects to achieve sustainable crop production.
磷(P)是植物生长必需的营养物质,在植物体内的各种生化过程中起着至关重要的作用。然而,土壤中磷的有效性往往是有限的,导致作物产量下降,并与过度施肥相关的潜在环境问题。因此,了解农业土壤中磷的状况并实施有效的策略来提高磷的利用对作物的可持续生产至关重要。了解土壤磷动态及其对作物生产力的影响对于开发旨在提高农业磷利用效率的创新方法和技术至关重要。影响磷有效性的因素包括土壤性质、养分管理方法和环境因素。进一步的管理技术,如高效施磷肥方法、提高磷素吸收的育种、生物肥料和生物接种剂、间作和作物轮作、有机改良剂、堆肥、纳米磷肥、可变施磷肥、生物炭和鸟粪石的使用等,正在导致磷素有效性和利用的更大变化。此外,本文还讨论了过量施用磷的环境影响和缓解措施,包括水土保持措施、土壤磷管理、养分管理规划以及政策和推广战略。这篇综述强调需要一个全面的方法来管理磷,考虑农艺和环境方面,以实现可持续的作物生产。
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引用次数: 0
Hg(OTf)2-catalyzed oxygenation of alkynes enables the divergent synthesis of oxazoles and 1,2-diketones Hg(OTf)2催化炔烃的氧合反应使得恶唑和1,2-二酮的发散合成成为可能
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-08-13 DOI: 10.1080/10426507.2025.2547034
Jian Guan (Investigation) , Yikang Ding (Methodology) , Xin Qian (Validation) , Haoxian Lin (Data curation) , Wenxuan Wang (Investigation) , Zhouting Rong (Supervision Writing – original draft)
A Hg(OTf)2-catalyzed oxygenation reaction has been developed for the divergent synthesis of various oxazoles and 1,2-diketones under mild conditions. This method extends the potential of mercury catalysis and promises to be an inexpensive alternative for the synthesis of oxazoles and 1,2-diketones from a wide range of aryl alkynes.
在温和条件下,建立了Hg(OTf)2催化的氧化反应,用于各种恶唑和1,2-二酮的发散合成。该方法扩展了汞催化的潜力,并有望成为一种廉价的替代方法,用于从各种芳基炔合成恶唑和1,2-二酮。
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引用次数: 0
Design, synthesis and antibacterial evaluation of indole C2 derivatives containing 1,3,4-oxadiazole thioether moiety 含有1,3,4-恶二唑硫醚的吲哚C2衍生物的设计、合成及抗菌性能评价
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-08-13 DOI: 10.1080/10426507.2025.2546581
Chenghao Tang (Conceptualization Funding acquisition Writing – original draft Writing – review & editing) , Liang Chen (Data curation) , Qian Wang (Investigation) , Xiaoli Huang (Investigation) , Lanlan Wang (Data curation) , Wenting Yang (Validation) , Yue Zhou (Investigation) , Pei Li (Writing – original draft) , Xiang Wang (Writing – original draft)
A series of novel indole C2 derivatives containing 1,3,4-oxadiazole thioether moiety were designed and synthesized via natural compound indole-2-carboxylic acid as start material, and their biological activities were tested for Pseudomonas syringae pv actinidiae (Psa), Xanthomonas axonopodis pv citri (Xac), and Xanthomonas oryzae pv oryzae (Xoo). Bioassay findings revealed that a subset of the target compounds demonstrated robust antibacterial activities against Psa, Xoo and Xac at concentrations of both 100 and 50 μg/mL. Ongoing research is focused on exploring their bioactive applications, aiming to identify novel indole C2 derivatives and investigate their broad applicability.
以天然化合物吲哚-2-羧酸为原料,设计合成了一系列含有1,3,4-恶二唑硫醚的新型吲哚C2衍生物,并对其对丁香假单胞菌pv actinidiae (Psa)、柑橘黄单胞菌pv citri (Xac)和米黄单胞菌pv oryzae (Xoo)的生物活性进行了测试。生物测定结果显示,在浓度为100和50 μg/mL时,部分目标化合物对Psa、Xoo和Xac均表现出较强的抗菌活性。正在进行的研究重点是探索其生物活性应用,旨在鉴定新的吲哚C2衍生物并研究其广泛的适用性。
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引用次数: 0
Understanding the controlled living behavior of the polyhomologation of alkylboranes with Corey’s ylide through mechanistic density functional theory calculations 通过机械密度泛函理论计算,了解烷基硼烷与Corey 's ylide多同源化的受控活性行为
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-08-13 DOI: 10.1080/10426507.2025.2548583
Oscar F. González-Belman (Data curation Formal analysis Investigation Methodology Validation Writing – original draft Writing – review & editing) , José Oscar C. Jiménez-Halla (Methodology Resources Supervision) , Kenneth J. Shea (Conceptualization Supervision Visualization) , José E. Báez (Conceptualization Formal analysis Investigation Supervision Visualization Writing – original draft Writing – review & editing)
We investigated the polyhomologation of trialkylborane using dimethyl sulfoxonium methylide (Corey’s ylide) as a methylene source. This reaction mechanism produces a linear aliphatic polymer called polymetylene (PM). Our theoretical calculations using density functional theory (DFT) suggest that this polymerization involves two reaction steps: ylide coordination into trialkylborane (BR3) (ate complex) and insertion (1,2-migration) of the methylene unit into a B-R bond, along with the liberation of dimethyl sulfoxide (DMSO) as a by-product. The mechanistic routes of the single-arm, arm-per-arm, and asymmetric propagation of the alkyl chains in the borane were explored, which revealed that the route of symmetric polyhomogation (arm-per-arm) of alkyl borane was favored over the others, leading to polyhomologated boranes with symmetric alkyl chains. With further oxidative treatment, this gave rise to PM with narrow dispersity (ÐM) involving living polymerization as in experimental reports.
以二甲基亚砜甲基化铵(Corey 's ylide)为亚甲基源,研究了三烷基硼烷的多同源性。这种反应机制产生一种叫做聚亚甲基(PM)的线性脂肪族聚合物。我们使用密度泛函理论(DFT)进行的理论计算表明,这种聚合涉及两个反应步骤:酰基配位成三烷基硼烷(BR3)(盐配合物)和亚甲基单元插入(1,2-迁移)到B-R键,以及作为副产物的二甲亚砜(DMSO)的释放。研究了烷基链在硼烷中单臂、单臂和不对称扩散的机理,结果表明,烷基硼烷的对称多同化(单臂)途径更受青睐,从而形成具有对称烷基链的多同化硼烷。随着进一步的氧化处理,这产生了具有窄分散性的PM (ÐM),涉及活性聚合,如实验报告中所述。
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引用次数: 0
A facile synthesis of tricyclic compounds consisting of benzo thiazol-selenazol skeletons via the copper‐catalyzed four-component reactions 铜催化四组分反应合成苯并噻唑-硒唑骨架三环化合物
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-08-12 DOI: 10.1080/10426507.2025.2546582
Manijeh Nematpour (Writing – original draft)
A rapid, efficient, and simple ultrasonic-assisted protocol is reported for the synthesis of benzo thiazol-selenazol skeletons from the one-pot reactions of acyl iso (seleno or thio) cyanate, benzothiazole and various terminal alkynes, in the vicinity of a copper catalyst, without the help of additional ligands under ultrasonic conditions for 45 min with good efficiency. The role of ultrasound in this reaction is to reduce the time, increase the efficiency of product preparation, and make the work-up easier. The use of simple and available raw materials, mild copper catalytic reaction conditions, easy purification with the help of a solvent, and finally, the synthesis of 10 new compounds from the benzo thiazol-selenazol family are notable features of this protocol.
本文报道了一种快速、高效、简单的超声辅助合成苯并噻唑-硒唑骨架的方法,该方法由异氰酸酰基(硒或硫)、苯并噻唑和各种末端炔在铜催化剂附近的一锅反应中合成,无需额外的配体,超声条件下反应45 min,效率很高。超声波在该反应中的作用是减少了时间,提高了产品制备的效率,并使后续工作更容易。采用简单易得的原料,温和的铜催化反应条件,易于溶剂纯化,最后从苯并噻唑-硒化唑族中合成了10个新的化合物是该方案的显著特点。
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引用次数: 0
期刊
Phosphorus, Sulfur, and Silicon and the Related Elements
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