Tetrahedron Letters最新文献

英文中文

Highly efficient synthesis and photochromic properties of a pentacyclic N-heterocyclic carbonyl-based dithienylethene 五环 N-杂环羰基二噻吩的高效合成及其光致变色特性

IF 1.5 4区化学 Q3 CHEMISTRY, ORGANIC

Tetrahedron Letters

Pub Date : 2024-09-29 DOI: 10.1016/j.tetlet.2024.155315

Ming Kong, Fei Meng, Jing Chen, Lufei Xiao

Given that the photochromic functional materials possess outstanding phototropic color-change properties, the attention being paid to this field is progressively intensifying. The development of N-heterocyclic carbonyl photoswitching materials, harnessing dithienylethene site for photochromism, typically involves a complex multi-step synthesis process, which substrate diversification and the complexity of the preparation process are confronted with various challenges. Herein, we present a straightforward synthetic methodology for the preparation of photochromic 4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-diphenyl-1,3-dihydro-2H-imidazol-2-one (1o) via reprogramming the synthesis pathway of dithienylethene-containing imidazolone using 1,3-diphenylurea. The current method demonstrates efficient reaction between α-hydroxy ketone and 1,3-diphenylurea in high yield, thereby enabling direct and straightforward one-step cyclization. The grown crystal sample of the targeted 1o has undergone single crystal X-ray diffraction analysis to elucidate its structural information. The ring-open (o-isomer) and ring-closed (c-isomer) forms showing remarkable fatigue resistance and high contrast visual color changes, can be effortlessly interconverted through the alternating irradiation of UV/vis light. To illustrate the electronic structure of the isomers, thorough analyses of the frontier molecular orbital based on TD-DFT calculations were conducted.

鉴于光致变色功能材料具有出色的各向同性变色特性，这一领域正受到越来越多的关注。利用二噻吩位点实现光致变色的 N-杂环羰基光开关材料的开发通常涉及复杂的多步合成过程，其基底的多样化和制备过程的复杂性面临着各种挑战。在此，我们提出了一种简单的合成方法，通过使用 1,3-二苯基脲重新编程含二噻吩的咪唑啉酮的合成途径，制备光致变色的 4,5-双（2,5-二甲基噻吩-3-基）-1,3-二苯基-1,3-二氢-2H-咪唑-2-酮（1o）。目前的方法证明了α-羟基酮和 1,3-二苯基脲之间的高产率高效反应，从而实现了直接和简单的一步环化。目标 1o 的生长晶体样品经过了单晶 X 射线衍射分析，以阐明其结构信息。通过紫外线/可见光的交替照射，开环（o-异构体）和闭环（c-异构体）可毫不费力地相互转化，显示出显著的抗疲劳性和高对比度的视觉颜色变化。为了说明异构体的电子结构，我们基于 TD-DFT 计算对前沿分子轨道进行了深入分析。

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引用次数: 0

Facile synthetic route to isoxazoles from β-sulfinyl- and β-sulfonyl-cyclohexenones via regioselective nitrile oxide cycloaddition and in-situ elimination 通过区域选择性氧化腈环加成和原位消除，从β-亚磺酰基和β-磺酰基环己烯酮简便合成异噁唑的路线

IF 1.5 4区化学 Q3 CHEMISTRY, ORGANIC

Tetrahedron Letters

Pub Date : 2024-09-29 DOI: 10.1016/j.tetlet.2024.155316

Kazuki Murata, Keisuke Suzuki, Ken Ohmori

A facile synthetic route to isoxazole is reported. Through examination of the reaction of stable nitrile oxides, β-substituted cyclohexenones, particularly sulfinyl and sulfonyl derivatives, show excellent regioselectivity in the 1,3-dipolar cycloaddition, forming isoxazoline cycloadducts, which undergo in-situ 1,2-elimination either with the assistance of a base (for the β-sulfonyl derivative) or without the need for a base (for the β-sulfinyl derivative), enabling a direct, high-yield access to isoxazoles.

报告了异噁唑的简便合成路线。通过对稳定的腈氧化物反应的研究，β-取代的环己烯酮，尤其是亚磺酰基和磺酰基衍生物，在 1,3-二极环加成反应中显示出极好的区域选择性，形成异噁唑啉环加成物、在碱的帮助下（对于 β-磺酰基衍生物）或无需碱（对于 β-亚磺酰基衍生物），它们都会发生原位 1,2-消除反应，从而可以直接、高产地获得异噁唑。

引用次数: 0

Recent progress on total synthesis of cyclic peptides 环肽全合成的最新进展

IF 1.5 4区化学 Q3 CHEMISTRY, ORGANIC

Tetrahedron Letters

Pub Date : 2024-09-27 DOI: 10.1016/j.tetlet.2024.155314

Haiping Liu , Leiyang Bai , Xuefeng Jiang

Cyclic peptides are composed of canonical and non-canonical amino acids in a rigid conformation, which endow them high binding affinity and specificity, proteolytic stability, and enhanced membrane permeation compared to linear analogs, thereby making them as promising therapeutics of the future. To date, more than 40 cyclic peptides from nature or derivatives are used as therapeutics, with an average of around one cyclic peptide drug approved per year. This review aims to highlight the past 5 years’ advances in total synthesis of cyclic peptides including monocyclic peptides, bicyclic peptides, and tricyclic peptides, laying a solidly synthetic foundation for drug discovery.

环肽由典型和非典型氨基酸组成，具有刚性构象，与线性类似物相比，具有高结合亲和力和特异性、蛋白水解稳定性和更强的膜渗透性，因此是未来很有前景的治疗药物。迄今为止，已有 40 多种来自自然界的环肽或其衍生物被用作治疗药物，平均每年约有一种环肽药物获得批准。本综述旨在重点介绍过去 5 年在环肽全合成方面取得的进展，包括单环肽、双环肽和三环肽，为药物发现奠定坚实的合成基础。

引用次数: 0

Chemoselective oxidative N-debenzylation of aryl halogenated amines using the Laccase LAC97/TEMPO system 利用漆酶 LAC97/TEMPO 系统对芳基卤化胺进行化学选择性 N-脱苄基氧化反应

IF 1.5 4区化学 Q3 CHEMISTRY, ORGANIC

Tetrahedron Letters

Pub Date : 2024-09-25 DOI: 10.1016/j.tetlet.2024.155298

Hong Ann Gan , Sean Reidy , Noreen Morris , Megan Smyth , Guang Xing Wang , Thomas S. Moody

The N-debenzylation of aryl-halogenated amines using the Laccase LAC97/TEMPO system is reported, demonstrating selective N-debenzylation with no dehalogenation of the phenyl ring, which is observed with conventional debenzylation methods such as palladium-catalysed hydrogenation. This reaction was performed under ambient conditions in acidic buffer with 5 % DMSO as co-solvent in an open-to-air vessel. The versatility and robustness of the system was demonstrated on substrates harbouring different halogen moieties. The limitations of the Laccase LAC97/TEMPO system were also studied, highlighting the formation of by-products due to overoxidation on selected substrates. A series of substrates with various halogens were studied. High conversion (78–90 %) in 6 h and full conversion was achieved within 24 h using HPLC to monitor the reaction. Overall, this system is presented as a chemoselective N-debenzylation alternative for aryl-halogenated substrates.

该研究报道了利用漆酶 LAC97/TEMPO 系统对芳基卤化胺进行 N-脱苄基反应的情况，结果表明该反应具有选择性的 N-脱苄基作用，而不会出现传统脱苄基方法（如钯催化氢化）中出现的苯环脱卤现象。该反应是在酸性缓冲液中的环境条件下进行的，5% 的二甲基亚砜（DMSO）作为辅助溶剂，在一个露天容器中进行。在含有不同卤素分子的底物上，该系统的多功能性和稳健性得到了验证。此外，还研究了漆酶 LAC97/TEMPO 系统的局限性，强调了在特定底物上由于过度氧化而形成的副产品。研究了一系列含有不同卤素的底物。使用 HPLC 监控反应，6 小时内实现了高转化率（78-90%），24 小时内实现了完全转化。总之，该系统可作为芳基卤化底物的化学选择性 N-脱苄基反应的替代方法。

引用次数: 0

A quinine squaramide catalyzed enantioselective [4 + 2] cycloaddition between ortho-hydroxyphenyl para-quinone methide and γ-butenolides for preparation of chiral 3, 4-dihydrocoumarins 一种奎宁方酰胺催化的对映体选择性[4 + 2]环加成反应，用于制备手性 3, 4-二氢香豆素的邻羟基苯基对苯醌甲醚和γ-丁烯酸酯

IF 1.5 4区化学 Q3 CHEMISTRY, ORGANIC

Tetrahedron Letters

Pub Date : 2024-09-25 DOI: 10.1016/j.tetlet.2024.155311

Jing-Liang Yu , Su-Fan Gao , Chun-Jun Zhu , Wen-Sheng Li , Li-Xin Wang

A quinine-squaramide catalyzed enantioselective inverse-electron-demand hetero-Diels–Alder reaction between γ-butenolides and ortho-hydroxyphenyl p-QMs has been disclosed. A wide range of chiral 3, 4-dihydrocoumarins frameworks with two adjacent stereogenic centers have been directly and concisely prepared in excellent results (up to 94 % yield, 99:1 dr, 98:2 er) under mild conditions.

本研究揭示了在γ-丁烯内酯和邻羟基苯基对-QMs 之间发生的一种奎宁-夸父酰胺催化的对映体选择性逆电子需求异狄尔斯-阿尔德反应。在温和的条件下，直接简洁地制备了多种具有两个相邻立体中心的手性 3、4-二氢香豆素框架，并取得了极佳的效果（收率高达 94%，dr 为 99:1，er 为 98:2）。

引用次数: 0

Visible-light-induced dual CH functionalization of biaryl ynones via a 6-exo-trig domino radical addition/cyclization/dearomatization: Efficient access to alkylated spiro[5.5] trienones 通过 6-exo-trig 多米诺自由基加成/环化/脱芳烃作用，以可见光诱导双芳基炔酮的双 CH 功能化：高效获得烷基化螺[5.5]三烯酮

IF 1.5 4区化学 Q3 CHEMISTRY, ORGANIC

Tetrahedron Letters

Pub Date : 2024-09-25 DOI: 10.1016/j.tetlet.2024.155312

Dong Xia , Yun Shi , Yang Li , Liying Jiang

A visible-light-induced 6-exo-trig tandem cyclization dearomatization of biaryl ynones with simple ethers was developed. The reaction involves selective C(sp³)H bond cleavage and dual CC bond formation providing efficient, atom and step economical access to alkylated spiro[5.5]trienones under mild conditions.

研究人员开发了一种可见光诱导的双芳基炔酮与单醚的 6-exo-trig 串联环化脱芳烃反应。该反应涉及选择性 C(sp3)H 键裂解和双 CC 键形成，可在温和条件下高效、经济地获得烷基化螺[5.5]三烯酮。

引用次数: 0

Synthesis of silacycles via metal hydrogen atom transfer and radical-polar crossover mechanism 通过金属氢原子转移和自由基-极性交叉机制合成硅圈

IF 1.5 4区化学 Q3 CHEMISTRY, ORGANIC

Tetrahedron Letters

Pub Date : 2024-09-24 DOI: 10.1016/j.tetlet.2024.155313

Takuma Sugimura, Hiroki Shigehisa

In this study, we have developed an efficient method for silacycle synthesis using metal hydride hydrogen atom transfer (MHAT) and radical-polar crossover (RPC) mechanism. Allylic silanols were synthesized via one-step condensation and then cyclized under mild conditions using N-fluoropyridinium tetrafluoroborate (Me₃NFPY·BF₄) as the oxidant under cobalt catalysis. This approach yielded five-, six-, and seven-membered silacycles with high selectivity, with the six-membered rings being the favored products. Density functional theory (DFT) calculations provided valuable insights into the reaction mechanisms and highlighted the role of ring strain in determining product selectivity. This study demonstrated the effectiveness of combining MHAT/RPC methodologies with silicon tethering, thus offering a robust platform for expanding the use of silicon-based strategies in synthetic chemistry.

在这项研究中，我们开发了一种利用金属氢化物氢原子转移（MHAT）和自由基-极性交叉（RPC）机制合成硅烷醇的高效方法。通过一步缩合合成了烯丙基硅烷醇，然后在钴催化下使用 N-氟吡啶鎓四氟硼酸盐（Me3NFPY-BF4）作为氧化剂在温和条件下进行环化。这种方法以高选择性生成了五元、六元和七元硅环，其中六元环是最受欢迎的产物。密度泛函理论（DFT）计算为了解反应机理提供了宝贵的见解，并突出了环应变在决定产物选择性中的作用。这项研究证明了将 MHAT/RPC 方法与硅系链相结合的有效性，从而为扩大硅基策略在合成化学中的应用提供了一个强大的平台。

引用次数: 0

Visible light-induced pericyclic cascade reaction for the synthesis of eight-membered rings 用于合成八元环的可见光诱导过环级联反应

IF 1.5 4区化学 Q3 CHEMISTRY, ORGANIC

Tetrahedron Letters

Pub Date : 2024-09-19 DOI: 10.1016/j.tetlet.2024.155309

Shaoheng Qin , Hao Hai , Boan Chen , Hao Guo , Fritz E. Kühn

A visible light-induced pericyclic cascade reaction for the synthesis of eight-membered rings is described. The reaction proceeds via [2 + 2]-photocycloaddition, base-promoted elimination, and retro-4π-electrocyclization. It exhibits broad substrate scope and good functional group tolerance.

本文介绍了一种可见光诱导的合成八元环的周环级联反应。该反应通过[2 + 2]-光环加成、碱促进消除和逆-4π-电环化进行。该反应具有广泛的底物范围和良好的官能团耐受性。

引用次数: 0

Synthesis and band gap determination for 4-phenyl-7-(5-(thiazol-2-yl) thien-2-yl)benzo[c][1,2,5]thiadiazole, a new polyheterocyclic molecule with potential applications as a semiconductor in organic photovoltaic solar cells 4-苯基-7-(5-(噻唑-2-基)噻吩-2-基)苯并[c][1,2,5]噻二唑--一种新的多杂环分子的合成和带隙测定，该分子有望用作有机光伏太阳能电池中的半导体

IF 1.5 4区化学 Q3 CHEMISTRY, ORGANIC

Tetrahedron Letters

Pub Date : 2024-09-16 DOI: 10.1016/j.tetlet.2024.155305

Gustavo Ávila-Zárraga, Francia M. Oropeza-Guerrero, Daniel Sifuentes-Vázquez, Carlos Amador-Bedolla, Francisco Xavier Domínguez-Villa

Organic photovoltaic (OPV) solar cells are a promising emerging technology for sustainable energy generation. In these cells, the absorbing layer consists of a repeated series of aromatic organic rings with a system of π delocalized electrons, a feature that allows these materials to absorb sunlight and facilitate electron transfer. In the present work, a new tetrameric molecule with high structural complexity, 4-phenyl-7-(5-(thiazol-2-yl) thien-2-yl)benzo[c][1,2,5]thiadiazole, was synthesized by a convergent pathway. The final step of the synthetic route was the Suzuki coupling of two new dimeric molecules, obtained from commercially available raw materials such as thiophene and o-phenylenediamine. The band gap of the final compound was found to be 2.5 eV using an optical methodology and 2.38 eV using an electrochemical methodology. The results suggest that this tetrameric molecule has potential for application in OPV cells.

有机光伏（OPV）太阳能电池是一种前景广阔的新兴可持续能源发电技术。在这些电池中，吸收层由一系列重复的芳香族有机环组成，具有π脱局电子系统，这一特点使这些材料能够吸收阳光并促进电子转移。在本研究中，我们通过聚合途径合成了一种结构高度复杂的新四元分子--4-苯基-7-(5-(噻唑-2-基)噻吩-2-基)苯并[c][1,2,5]噻二唑。合成路线的最后一步是将从噻吩和邻苯二胺等市售原料中获得的两个新的二聚分子进行铃木偶联。利用光学方法和电化学方法分别发现最终化合物的带隙为 2.5 eV 和 2.38 eV。结果表明，这种四聚分子具有应用于 OPV 电池的潜力。

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引用次数: 0

Synthesis of quinoline fused 1,2,3-triazole derivatives via continuous CuAAC and CH arylation; anti-breast cancer, anti-EGFR and HER2 activities, computational studies 通过连续 CuAAC 和 CH 芳基化合成喹啉融合 1,2,3 三唑衍生物；抗乳腺癌、抗EGFR 和 HER2 活性，计算研究

IF 1.5 4区化学 Q3 CHEMISTRY, ORGANIC

Tetrahedron Letters

Pub Date : 2024-09-10 DOI: 10.1016/j.tetlet.2024.155282

Subbareddy Lavunuri , Ratnakaram Venkata Nadh , Devendar Banothu , Siva Kumar Rapeti

Some new quinoline linked fused 1,2,3-triazole hybrids (5a-5o) were synthesized via Cu(I) catalyzed azide-alkyne cycloaddition followed by intramolecular CH arylation in one pot. Further, these derivatives were screened for their anti-breast cancer activity against MCF-7, MDA-MB-468 and MDA-MB-231 cell lines and results were compared with the 5-fluorouracil (5-FU). Out of all, compounds 5a, 5c, 5f, 5g and 5j displayed higher activity than the 5-FU against three cancer cell lines. Compound 5a was more effective in inhibiting both tyrosine kinase EGFR and HER2 enzymes than the Erlotinib and Lapatinib. Furthermore, compound 5j demonstrated greater potency than the Erlotinib against EGFR. Molecular docking studies revealed the important binding features of most potent compounds 5a, 5c, 5f, 5g and 5j with EGFR (PDB ID-4HJO) and HER2 (PDB ID-3RCD) and results were found to be supportive with corresponding IC₅₀ data. Finally, in silico pharmacokinetic studies revealed that compounds 5a, 5c, 5f, 5g and 5j followed Ghose, Egan, Muegge, Lipinski and Veber rules without any deviation.

通过 Cu(I)催化叠氮-炔环化反应和分子内 CH 芳基化反应，合成了一些新的喹啉连接的融合 1,2,3 三唑杂化物（5a-5o）。此外，还筛选了这些衍生物对 MCF-7、MDA-MB-468 和 MDA-MB-231 细胞系的抗乳腺癌活性，并将结果与 5-氟尿嘧啶（5-FU）进行了比较。其中，化合物 5a、5c、5f、5g 和 5j 对三种癌细胞株的活性高于 5-FU。与厄洛替尼和拉帕替尼相比，化合物 5a 在抑制酪氨酸激酶表皮生长因子受体和 HER2 酶方面更为有效。此外，化合物 5j 对表皮生长因子受体的抑制作用比厄洛替尼更强。分子对接研究揭示了最有效的化合物 5a、5c、5f、5g 和 5j 与表皮生长因子受体（PDB ID-4HJO）和 HER2（PDB ID-3RCD）的重要结合特征，结果与相应的 IC50 数据相吻合。最后，硅学药代动力学研究表明，化合物 5a、5c、5f、5g 和 5j 遵循 Ghose、Egan、Muegge、Lipinski 和 Veber 规则，没有任何偏差。

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