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Route design and development for an anthranilic diamide compound containing 2-methyl-2-amino-propanamide group as a potential insecticide 含 2-甲基-2-氨基丙酰胺基团的蒽酰二胺化合物作为潜在杀虫剂的路线设计与开发
IF 0.9 4区 化学 Q4 Chemistry Pub Date : 2024-05-08 DOI: 10.24820/ark.5550190.p012.185
Junwu Ying, Shuang Liang, Xuesong Li, Gang Wang, Zhongbao Ren, Xiaochen Bai, Jie Lang, Bin Li, Huibin Yang, Haibo Yu
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引用次数: 0
Tf2O-mediated Mild Synthesis of 6H-Chromeno[4,3-b]quinolines Tf2O 介导的 6H-色烯并[4,3-b]喹啉的温和合成
IF 0.9 4区 化学 Q4 Chemistry Pub Date : 2024-05-02 DOI: 10.24820/ark.5550190.p012.191
Jian-Liang Ye, Li-Ning Chen, Zhao-Ke Jin, Pei-Qiang Huang
A facile and versatile synthesis of 6 H -chromeno[4,3-b ]quinolines has been achieved through triflic anhydride/2-fluoropyridine (Tf 2 O/2-F-Pyr)-promoting domino intramolecular cycloaddition reactions of salicylic-acid-derived N -phenyl- ortho -propynyloxy benzamides under mild, and metal-free conditions. This protocol is efficient, scalable, and well compatible with a broad scope of substrates bearing halogens, trifluoromethyl
在温和、无金属的条件下,通过三酸酐/2-氟吡啶(Tf 2 O/2-F-Pyr)促进水杨酸衍生的 N-苯基-原-丙炔氧基苯甲酰胺的多米诺分子内环加成反应,实现了 6 H-色烯并[4,3-b]喹啉的简便、多功能合成。该方案高效、可扩展,并与多种含卤素、三氟甲基和三氟乙酰基的底物兼容。
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引用次数: 0
Hydrogenation of cinnamaldehyde over palladium nanoparticles supported on functionalized N doped solid carbon spheres 肉桂醛在掺杂 N 的功能化固体碳球上支撑的钯纳米粒子上的氢化反应
IF 0.9 4区 化学 Q4 Chemistry Pub Date : 2024-04-24 DOI: 10.24820/ark.5550190.p012.162
N. J. Coville, Alice Magubane, M. Maubane-Nkadimeng
Selective hydrogenation of the C=O bond, rather than the conjugated C=C bond, in cinnamaldehyde (CALD) is still an interesting challenge. Herein, Pd catalysts supported on solid carbon spheres (SCSs) and functionalized solid carbon spheres (fSCSs) were explored for the selective hydrogenation of CALD. The Pd/fSCSs catalyst (Pd wt.% 3.7) gave cinnamyl alcohol (CA) selectivity of 85% and CALD conversion of 99% (6 h at T = 60 °C), while the Pd/SCSs catalyst (Pd wt.% 3.6) gave 100% CALD conversion (4 h, 100% selectivity) towards 3-phenyl-1-propanol. The Pd/fSCSs catalyst unfortunately showed poor stability in repeat reactions.
肉桂醛(CALD)中 C=O 键而非共轭 C=C 键的选择性氢化仍然是一个有趣的挑战。在此,我们探索了固体碳球(SCS)和功能化固体碳球(fSCS)支撑的钯催化剂对 CALD 的选择性氢化。Pd/fSCSs 催化剂(Pd wt.% 3.7)对肉桂醇(CA)的选择性为 85%,CALD 转化率为 99%(6 小时,T = 60 °C),而 Pd/SCSs 催化剂(Pd wt.% 3.6)对 3-苯基-1-丙醇的 CALD 转化率为 100%(4 小时,100% 选择性)。遗憾的是,Pd/fSCSs 催化剂在重复反应中表现出较低的稳定性。
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引用次数: 0
Tert-butyl hydroperoxide decomposition as a descriptor for liquid-phase hydrocarbon oxidation over transition metal oxide-based catalysts: a screening study 将叔丁基过氧化氢分解作为过渡金属氧化物基催化剂液相烃氧化的描述因子:筛选研究
IF 0.9 4区 化学 Q4 Chemistry Pub Date : 2024-04-22 DOI: 10.24820/ark.5550190.p012.158
Martin Muhler, J. Büker, Jingqi Shang, S. Angel, E. Budiyanto, H. Tüysüz, Hartmut Wiggers, Christof Schulz, Marcus Grünewald, B. Peng
Selective oxidation of hydrocarbons with environmentally friendly oxidizing agents is key to a sustainable future. Therefore, the development of heterogeneously catalyzed reactions using oxidants such as molecular oxygen and alkyl hydroperoxides is a promising approach. For the application of these oxidants on a large scale, highly active and selective catalysts must be developed, which requires a rapid screening of a large variety of materials. We report on a method that enables a volumetric quantification of the O 2 amount evolved from the decomposition of alkyl hydroperoxides, which serves as a fast initial screening step for identifying effective catalysts for hydrocarbon oxidation reactions.
使用环境友好型氧化剂对碳氢化合物进行选择性氧化是实现可持续未来的关键。因此,开发使用氧化剂(如分子氧和烷基氢过氧化物)的异构催化反应是一种很有前景的方法。要大规模应用这些氧化剂,必须开发出高活性、高选择性的催化剂,这就需要对大量材料进行快速筛选。我们报告了一种可对烷基氢过氧化物分解过程中挥发的 O 2 量进行体积定量的方法,该方法可作为识别碳氢化合物氧化反应有效催化剂的快速初步筛选步骤。
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引用次数: 0
Influence of the oxidic support material on the platinum-catalyzed benzyl alcohol oxidation 氧化支撑材料对铂催化苯甲醇氧化的影响
IF 0.9 4区 化学 Q4 Chemistry Pub Date : 2024-04-21 DOI: 10.24820/ark.5550190.p012.163
Eric W.J. van Steen, Avela Kunene
Platinum supported on different oxides is an effective catalyst for the benzyl alcohol oxidation, but the type of support material affects the overall catalytic performance. Here, the performance of dispersed platinum nanoparticles in range of 2.5-4.6 nm supported on reducible oxides (TiO 2 (P25), CeO 2 , MoO 3 and  -Fe 2 O 3 ) and an irreducible oxide(  -Al 2 O 3 ) is investigated for the application of benzyl alcohol oxidation catalysts in the presence of liquid water. The difference in the performance is attributed to the ability of the support to accept hydrogen from benzyl alcohol adsorbed on platinum and the ability to remove surface hydroxyl groups in the form of water.
支撑在不同氧化物上的铂是苯甲醇氧化的有效催化剂,但支撑材料的类型会影响整体催化性能。在此,我们研究了 2.5-4.6 纳米分散铂粒子在可还原氧化物(TiO 2 (P25)、CeO 2、MoO 3 和  -Fe 2 O 3)和不可还原氧化物( -Al 2 O 3)上的性能,并将其应用于液态水存在下的苄醇氧化催化剂。性能差异归因于载体从吸附在铂上的苯甲醇中接受氢的能力和以水的形式去除表面羟基的能力。
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引用次数: 0
Expedient method for acylation of amines, alcohols and thiol using Trimethylsilyl acetate 使用乙酸三甲基硅酯酰化胺、醇和硫醇的简便方法
IF 0.9 4区 化学 Q4 Chemistry Pub Date : 2024-04-20 DOI: 10.24820/ark.5550190.p012.168
S. R. Baddam, S. Kalagara, Srinivas Ganta, V. Ponnuru, Balaraju Vudari, Avekananda Reddy Allam
An efficient and convenient protocol has been developed for the acylation of amines, alcohols and thiol using Trimethylsilyl acetate (TMSOAc) is described. The method is simple, mild and economical with good substrate scope. Hence, widely useful for academia and industrial synthetic applications
本文介绍了一种利用醋酸三甲基硅酯 (TMSOAc) 对胺、醇和硫醇进行酰化的高效便捷的方法。该方法简单、温和、经济,且具有良好的底物范围。因此,在学术界和工业合成应用中具有广泛的实用性。
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引用次数: 0
Synthesis and Optimization of Stapled DOCK Peptides with Improved Drug-like Properties 合成和优化具有更佳类药物特性的带钉 DOCK 肽
IF 0.9 4区 化学 Q4 Chemistry Pub Date : 2024-03-25 DOI: 10.24820/ark.5550190.p012.170
A. Madder, Attiruj Theppawong, Ewout De Geyter
Protein-protein interactions (PPIs) involving short α -helix fragments are of critical importance in cellular processes. Stapling of α -helical peptides improves their conformational stability, affinity, and resistance to proteases. ELMO proteins (ELMO1 and ELMO2) play a crucial role in cellular processes, and recent studies highlight ELMO1's distinct role in interacting with, and modulating, DOCK2 levels. To harness the full therapeutic potential of peptides mimicking the DOCK protein for interference with the ELMO/DOCK interaction, we propose employing deoxycholic acid and conventional small molecules for stapling, thus enhancing the therapeutic potential of these peptides. Our method employs solid-phase peptide synthesis, strategically incorporating two cysteine amino acids to create well-defined, constrained cyclic peptides upon stapling. In addition to their structural stabilisation, these stapled peptides exhibit remarkable proteolytic stability, defying enzymatic degradation, even in the presence of human serum.
涉及短 α - 螺旋片段的蛋白质-蛋白质相互作用(PPIs)在细胞过程中至关重要。对 α -螺旋肽进行钉合可提高它们的构象稳定性、亲和力和对蛋白酶的抵抗力。ELMO蛋白(ELMO1和ELMO2)在细胞过程中起着至关重要的作用,最近的研究强调了ELMO1在与DOCK2相互作用和调节DOCK2水平方面的独特作用。为了充分发挥模仿 DOCK 蛋白的多肽干扰 ELMO/DOCK 相互作用的治疗潜力,我们建议使用脱氧胆酸和传统小分子进行钉合,从而提高这些多肽的治疗潜力。我们的方法采用固相多肽合成技术,策略性地加入两个半胱氨酸氨基酸,在订书机中形成定义明确的受约束环肽。除了结构稳定外,这些钉合肽还具有显著的蛋白水解稳定性,即使在人体血清存在的情况下也不会被酶降解。
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引用次数: 0
Hydrogen and halogen rearrangements in imidazoles: Hydrogen, fluorine, chlorine and bromine shifts 咪唑中的氢和卤素重排:氢、氟、氯和溴的转移
IF 0.9 4区 化学 Q4 Chemistry Pub Date : 2024-03-25 DOI: 10.24820/ark.5550190.p012.171
R. M. Claramunt, I. Alkorta, J. Elguero
The structures and energetics of the minima and the transition states corresponding to the migration of hydrogen and halogen atoms (F, Cl, Br) in imidazole and in cyclopentadiene rings have been calculated using the composite method Gaussian-4 (G4), a quantum chemical method for the calculation of energies of molecular species containing first-row, second-row, and third row main group atoms. The heats of formation obtained from the G4 values were found to be reliable by comparing them with the NIST Chemistry WebBook values of cyclopentadiene, imidazole and related compounds. The new G4 values thus obtained have been discussed using correlation analyses. In summary, this work was carried out because there is no clear evidence for intramolecular halogen migrations in azoles.
利用高斯-4(G4)复合方法计算了咪唑和环戊二烯环中氢原子和卤素原子(F、Cl、Br)迁移所对应的最小值和过渡态的结构和能量。通过将 G4 值与环戊二烯、咪唑和相关化合物的 NIST 化学 WebBook 值进行比较,发现从 G4 值得到的形成热是可靠的。通过相关分析,对由此获得的新 G4 值进行了讨论。总之,之所以开展这项工作,是因为没有明确的证据表明唑类化合物中存在分子内卤素迁移。
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引用次数: 0
Serendipitous synthesis of 2,3-Dihydroquinazolin-4(1H)-ones in ZnCl2/Urea deep eutectic solvent 在氯化锌/脲深共晶溶剂中偶然合成 2,3-二氢喹唑啉-4(1H)-酮
IF 0.9 4区 化学 Q4 Chemistry Pub Date : 2024-03-16 DOI: 10.24820/ark.5550190.p012.167
Parvesh Singh, Gobind Kumar, L. Khubone, P. Seboletswe, Neha Manhas, Talent R. Makhanya, Gaurav Bhargava
A green, sustainable, and efficient one-pot, synthetic strategy for the synthesis of 2,3-dihydroquinazolin-4(1 H )- ones (DHQs) was developed. The ZnCl 2 /urea used as a deep eutectic solvent (DES) not only efficiently promoted the condensation between isatoic anhydride and benzaldehyde but unexpectedly acted as a nitrogen source (like ammonia) in sit u to afford DHQs in excellent yields. This approach offers remarkable advantages, involving the triple role of DES in the synthesis of DHQs, atom-economical, green organocatalysts, metal-free conditions, cost-effectiveness, and tolerance to a range of functional groups
本研究开发了一种绿色、可持续和高效的单锅合成 2,3-二氢喹唑啉-4(1 H )- 1(DHQs)的合成策略。用作深共晶溶剂(DES)的 ZnCl 2 /尿素不仅有效地促进了异酸酐和苯甲醛之间的缩合,还意外地在 sit u 中充当了氮源(如氨)的角色,从而以优异的产率获得了 DHQs。这种方法具有显著的优势,包括 DES 在 DHQs 合成中的三重作用、原子经济的绿色有机催化剂、无金属条件、成本效益以及对一系列官能团的耐受性。
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引用次数: 0
Synthesis of a CF3-substituted 1,3,4-oxadiazoline and its use in the generation and trapping of an ?-trifluoromethyl carbene 一种 CF3 取代的 1,3,4-噁二唑啉的合成及其在生成和捕获三氟甲基碳烯中的应用
IF 0.9 4区 化学 Q4 Chemistry Pub Date : 2024-03-12 DOI: 10.24820/ark.5550190.p012.164
F. Gagosz, David Fabian León Rayo, Laurie-Anne Jouanno
Among the different methods allowing the introduction of a CF 3 group into an organic framework, those based on the use of a fluorinated carbene intermediate are particularly useful. They can lead to the formation of structural motifs that are difficult to access by other means. We report in this article the development of a new route allowing the generation of an  -trifluoromethyl  -benzyloxy carbene from a readily accessible trifluoromethyl 1,3,4-oxadiazoline. Trapping of the carbene in the presence of various alkynes led to the formation of various protected trifluoromethyl tertiary cyclopropenols in moderate yields.
在允许将 CF 3 基团引入有机框架的各种方法中,基于使用含氟碳烯中间体的方法尤为有用。它们可以形成其他方法难以获得的结构基团。我们在这篇文章中报告了一条新路线的开发情况,这条路线可以从容易获得的三氟甲基 1,3,4-恶二唑啉生成  -三氟甲基  -苄氧基碳烯。在各种炔烃的存在下,碳烯的捕获导致以中等产率形成各种受保护的三氟甲基叔环丙烯醇。
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引用次数: 0
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Arkivoc
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