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2-(1-Methoxycarbonyl-2-phenyleth-1-yl)-1-benzylpyridin-1-ium Bromide 2 - (1-Methoxycarbonyl-2-phenyleth-1-yl) -1-benzylpyridin-1-ium Bromide
Molbank Pub Date : 2023-10-16 DOI: 10.3390/m1738
Lorenzo Suigo, Valentina Straniero, Ermanno Valoti
{"title":"2-(1-Methoxycarbonyl-2-phenyleth-1-yl)-1-benzylpyridin-1-ium Bromide","authors":"Lorenzo Suigo, Valentina Straniero, Ermanno Valoti","doi":"10.3390/m1738","DOIUrl":"https://doi.org/10.3390/m1738","url":null,"abstract":"In this work, we report the unexpected conversion of a pyridine derivative into the corresponding N-benzylated pyridinium salt due to the presence of unreacted benzyl bromide in the crude product. This transformation was observed at room temperature in a solvent-free environment and without any stirring. These interesting data show how pyridinium salts can be formed in mild conditions, avoiding high temperatures that could promote the degradation of the desired product.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":"4 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136113472","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}
引用次数: 0
Diethyl (5-Benzyl-2-(4-(N′-hydroxycarbamimidoyl)phenyl)-5-methyl-4,5-dihydrofuran-3-yl)phosphonate 二乙基(5-Benzyl-2 - (4 - (N ' -hydroxycarbamimidoyl)苯基)5-methyl-4 5-dihydrofuran-3-yl)膦酸酯
Molbank Pub Date : 2023-10-13 DOI: 10.3390/m1736
Oscar Leonardo Avendaño Leon, Christophe Curti, Fabiana Maia Santos Urbancg Moncorvo, Youssef Kabri, Sébastien Redon, Eduardo Caio Torres-Santos, Romain Paoli-Lombardo, Patrice Vanelle
{"title":"Diethyl (5-Benzyl-2-(4-(N′-hydroxycarbamimidoyl)phenyl)-5-methyl-4,5-dihydrofuran-3-yl)phosphonate","authors":"Oscar Leonardo Avendaño Leon, Christophe Curti, Fabiana Maia Santos Urbancg Moncorvo, Youssef Kabri, Sébastien Redon, Eduardo Caio Torres-Santos, Romain Paoli-Lombardo, Patrice Vanelle","doi":"10.3390/m1736","DOIUrl":"https://doi.org/10.3390/m1736","url":null,"abstract":"As part of our ongoing research into the antileishmanial properties of amidoxime derivatives, we report a preliminary assessment of the antiparasitic properties of a novel compound, diethyl (5-benzyl-2-(4-(N′-hydroxycarbamimidoyl)phenyl)-5-methyl-4,5-dihydrofuran-3-yl)phosphonate. This compound was evaluated in vitro for the first time against the promastigote form of Leishmania amazonensis. Compounds containing both amidoxime and phosphonyl functional groups in dihydrofuran scaffolds are relatively rare, despite the extensive study of this heterocycle in various biological applications. Therefore, this work makes a valuable contribution to the fight against Leishmania spp. as a neglected disease. The cyclized 4,5-dihydrofuran intermediate scaffold was obtained via a three-step synthetic route that had previously been developed for accessing other derivatives, including the sulfone moiety. This synthesis was performed using a manganese-based free radical oxidative method under microwave irradiation. The intermediary 4,5-dihydrofuran, which included a nitrile group, tolerated the subsequent reaction with hydroxylamine hydrochloride, resulting in the formation of the target product. The target compound showed moderate activity in vitro against the promastigote form of L. amazonensis (IC50 = 91.1 µM).","PeriodicalId":18761,"journal":{"name":"Molbank","volume":"42 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135857373","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}
引用次数: 0
Potassium 6-Oxo-7,13,16,22-tetraazatetracyclo[12.6.2.18,12.017,21]tricosa-1(20),8(23),9,11,14,16,18,21-octaen-2-yne-15-carboxylate Potassium 6-Oxo-7,13,16,22-tetraazatetracyclo[12.6.2.18,12.017,21]tricosa-1(20),8(23),9,11,14,16,18,21-octaen-2-yne-15-carboxylate
Molbank Pub Date : 2023-10-09 DOI: 10.3390/m1735
Camille Blouet, Stéphanie Letast, Thomas Robert, Stéphane Bach, Noël Pinaud, Nicolas Joubert, Marie-Claude Viaud-Massuard, Jean Guillon, Cédric Logé, Caroline Denevault-Sabourin
{"title":"Potassium 6-Oxo-7,13,16,22-tetraazatetracyclo[12.6.2.18,12.017,21]tricosa-1(20),8(23),9,11,14,16,18,21-octaen-2-yne-15-carboxylate","authors":"Camille Blouet, Stéphanie Letast, Thomas Robert, Stéphane Bach, Noël Pinaud, Nicolas Joubert, Marie-Claude Viaud-Massuard, Jean Guillon, Cédric Logé, Caroline Denevault-Sabourin","doi":"10.3390/m1735","DOIUrl":"https://doi.org/10.3390/m1735","url":null,"abstract":"Potassium 6-oxo-7,13,16,22-tetraazatetracyclo[12.6.2.18,12.017,21]tricosa-1(20),8(23),9,11,14,16,18,21-octaen-2-yne-15-carboxylate was synthesized through a multi-step pathway, starting from commercially available 3-iodo-1,2-phenylenediamine. Structure characterization of this new substituted macrocyclic quinoxaline compound was achieved using 1H NMR, 13C NMR, and HRMS spectral analysis. This new macrocyclic derivative demonstrated submicromolar potency on both Pim-1 and Pim-2 isoforms, with an interesting selectivity profile against a selected panel of human kinases.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135093876","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}
引用次数: 0
(2aR,2a1S,5aR,9bR)-4-Isopropyl-7,8-dimethoxy-2a1-methyl-2,2a,2a1,3,5a,9b-hexahydrofluoreno[9,1-bc]furan (2, 2 a1, 5 ar, 9 br) 4-isopropyl-7, 8-dimethoxy-2a1-methyl-2, 2、2 a1, 3、5、9 b-hexahydrofluoreno 9 1-bc呋喃
Molbank Pub Date : 2023-10-09 DOI: 10.3390/m1734
Irina V. Ilyina, Nikolai S. Li-Zhulanov, Yuri V. Gatilov, Konstantin P. Volcho, Alexander Yu. Sidorenko, Vladimir E. Agabekov, Nariman F. Salakhutdinov
{"title":"(2aR,2a1S,5aR,9bR)-4-Isopropyl-7,8-dimethoxy-2a1-methyl-2,2a,2a1,3,5a,9b-hexahydrofluoreno[9,1-bc]furan","authors":"Irina V. Ilyina, Nikolai S. Li-Zhulanov, Yuri V. Gatilov, Konstantin P. Volcho, Alexander Yu. Sidorenko, Vladimir E. Agabekov, Nariman F. Salakhutdinov","doi":"10.3390/m1734","DOIUrl":"https://doi.org/10.3390/m1734","url":null,"abstract":"The development of highly efficient methods for the synthesis of chemical products by using renewable raw materials is one of the topical areas of medicinal chemistry. The paper presents the synthesis of (2aR,2a1S,5aR,9bR)-4-isopropyl-7,8-dimethoxy-2a1-methyl-2,2a,2a1,3,5a,9b-hexahydrofluoreno[9,1-bc]furan. The title compound was obtained through Prins–Friedel–Crafts cascade reactions of trans-4-hydroxymethyl-2-carene, which was synthesized from 3-carene, one of the main components of gum turpentine. The product yield after purification was 48%. The compound’s structure was confirmed by X-ray diffraction analysis.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":"117 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135094278","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}
引用次数: 0
4,4′-([2,2′-Bithiophene]-5,5′-diylbis(ethyne-2,1-diyl))bis(1-methylpyridin-1-ium) Iodide 4,4′-([2,2′-噻吩]-5,5′-二基双(乙炔-2,1-二基))双(1-甲基吡啶-1-鎓)碘化物
Molbank Pub Date : 2023-10-03 DOI: 10.3390/m1733
Lorenza Romagnoli, Andrea D’Annibale, Alessandro Latini
{"title":"4,4′-([2,2′-Bithiophene]-5,5′-diylbis(ethyne-2,1-diyl))bis(1-methylpyridin-1-ium) Iodide","authors":"Lorenza Romagnoli, Andrea D’Annibale, Alessandro Latini","doi":"10.3390/m1733","DOIUrl":"https://doi.org/10.3390/m1733","url":null,"abstract":"Viologens are a highly advantageous class of compounds for the synthesis of functional materials. Owing to their versatile structure, they can embed additional conjugated moieties, thus representing a convenient platform, for example for organic semiconductors and other energy-related uses. A straightforward synthesis of an extended viologen containing a bithiophene is described here, together with its UV-visible absorption and fluorescence spectroscopy, showing multiple absorption and emission bands. Thanks to its ease of synthesis and optical properties, this organic salt appears to be of potential interest for various optoelectronic applications.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":"21 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135739386","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}
引用次数: 0
(3-(4-Chlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl Benzenesulfonate (3 - (4-Chlorophenyl) 4、5-dihydroisoxazol-5-yl)甲基Benzenesulfonate
Molbank Pub Date : 2023-09-22 DOI: 10.3390/m1732
Loubna Mokhi, Karim Chkirate, Xiaodong Zhang, Mohsine Driowya, Khalid Bougrin
{"title":"(3-(4-Chlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl Benzenesulfonate","authors":"Loubna Mokhi, Karim Chkirate, Xiaodong Zhang, Mohsine Driowya, Khalid Bougrin","doi":"10.3390/m1732","DOIUrl":"https://doi.org/10.3390/m1732","url":null,"abstract":"A novel single crystal of (3-(4-chlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl benzenesulfonate has been synthetized via a one-pot sequential strategy under sonication. The single crystal has been investigated using X-ray diffraction analysis. Hydrogen bonding between C–H···O and C–H···N produces a layer structure in the crystal. According to a Hirshfeld surface analysis, interactions H···H (28.9%), H···O/O···H (26.7%) and H···C/C···H (15.8%) make the largest contributions to crystal packing. The optimized structure and the solid-state structure that was obtained through experiments are compared using density functional theory at the B3LYP/6-311 G + (d,p) level. The computed energy difference between the lowest unoccupied molecular orbital (LUMO) and highest occupied molecular orbital (HOMO) is 4.6548 eV.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":"29 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136062237","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}
引用次数: 0
2,2′-Trisulfanediyldibenzoyl Chloride 2,2′-三硫化二基二苯甲酰氯
Molbank Pub Date : 2023-09-21 DOI: 10.3390/m1731
R. Alan Aitken, Alexandra H. Campbell, Chloé E. Fletcher, Alexandra M. Z. Slawin
{"title":"2,2′-Trisulfanediyldibenzoyl Chloride","authors":"R. Alan Aitken, Alexandra H. Campbell, Chloé E. Fletcher, Alexandra M. Z. Slawin","doi":"10.3390/m1731","DOIUrl":"https://doi.org/10.3390/m1731","url":null,"abstract":"The X-ray structure of the title compound, formed at low conversion in the reaction of thiosalicylic acid with thionyl chloride, has been determined. The acid chloride groups are oriented to permit an attractive non-bonding O…S interaction. Mechanisms are suggested for the formation of this unexpected product. 1H and 13C NMR data are also reported for the first time for the major reaction product, 2-mercaptobenzoyl chloride.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":"8 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136237653","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}
引用次数: 0
2,8-Dibromo-6H,12H-6,12-epoxydibenzo[b,f][1,5]dioxocine 2,8-Dibromo-6H 12H-6,12-epoxydibenzo [b, f] [150] dioxocine
Molbank Pub Date : 2023-09-19 DOI: 10.3390/m1729
R. Alan Aitken, David B. Cordes, An Jie Ler, Aidan P. McKay
{"title":"2,8-Dibromo-6H,12H-6,12-epoxydibenzo[b,f][1,5]dioxocine","authors":"R. Alan Aitken, David B. Cordes, An Jie Ler, Aidan P. McKay","doi":"10.3390/m1729","DOIUrl":"https://doi.org/10.3390/m1729","url":null,"abstract":"The title dibromodisalicylaldehyde, obtained as a by-product in the m-chloroperoxybenzoic acid oxidation of 5-bromo-2-(methoxymethoxy)benzaldehyde, has been characterised by IR and NMR spectroscopy and X-ray diffraction. The structure features two independent molecules with a π–π stacking interaction between them.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":"4 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135060284","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}
引用次数: 0
4-(4-(2-Bromoethyl)phenoxy)-2,3,5,6-tetrafluoropyridine 4-(4-(2-溴乙基)苯氧基)-2,3,5,6-四氟吡啶
Molbank Pub Date : 2023-09-19 DOI: 10.3390/m1730
Tiffany H. Li, Lucas C. Messer, Nathan J. Weeks, Timothy J. Fuhrer, Scott T. Iacono
{"title":"4-(4-(2-Bromoethyl)phenoxy)-2,3,5,6-tetrafluoropyridine","authors":"Tiffany H. Li, Lucas C. Messer, Nathan J. Weeks, Timothy J. Fuhrer, Scott T. Iacono","doi":"10.3390/m1730","DOIUrl":"https://doi.org/10.3390/m1730","url":null,"abstract":"The title compound was synthesized in near quantitative yields via initial nucleophilic aromatic substitution of pentafluoropyridine (PFP) with 4-(2-bromoethyl)phenol as a versatile precursor for ionic liquids (ILs). The purity and structure were determined using 1H, 13C, and 19F NMR and GC-EIMS.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":"42 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135063555","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}
引用次数: 0
(E)-3-Heptyl-2-(4-thiomorpholinostyryl)benzo[d]thiazol-3-ium Iodide as Solvatochromic and Fluorogenic Dye for Spectroscopy Applications (E)-3-庚基-2-(4-硫代油基苯乙烯基)苯并[d]噻唑-3-碘化铵在光谱中的溶剂致变色和荧光染料应用
Molbank Pub Date : 2023-09-18 DOI: 10.3390/m1727
Aleksey A. Vasilev, Meglena I. Kandinska, Anton Kostadinov, Laura Dietz, Stanislav Baluschev
{"title":"(E)-3-Heptyl-2-(4-thiomorpholinostyryl)benzo[d]thiazol-3-ium Iodide as Solvatochromic and Fluorogenic Dye for Spectroscopy Applications","authors":"Aleksey A. Vasilev, Meglena I. Kandinska, Anton Kostadinov, Laura Dietz, Stanislav Baluschev","doi":"10.3390/m1727","DOIUrl":"https://doi.org/10.3390/m1727","url":null,"abstract":"The development of new selective fluorogenic probes for monitoring microbiological objects and cellular compartments may help to determine the mechanism of pathogenesis of new pathogens in living cells. The easy and reliable synthetic strategy for the direct preparation of chemically pure styryl dye (E)-3-heptyl-2-(4-thiomorpholinostyryl)benzo[d]thiazol-3-ium iodide is described. The photophysical properties in different solvents and in water medium neat and in the presence of the dsDNA and RNA of the dye is demonstrated and compared with that of the known structure analogue. The cellular uptake and the ability to bind cell organelles is determined. The introduction of a heptyl substituent attached to the quaternary nitrogen atom of the benzothiazole ring leads to an improvement in the photophysical properties of the dye.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":"215 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135203370","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}
引用次数: 0
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