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Synthesis and Characterization of 2-(((2,7-Dihydroxynaphthalen-1-yl)methylene)amino)-3',6'-bis(ethylamino)-2',7'-dimethylspiro[isoindoline-1,9'-xanthen]-3-one and Colorimetric Detection of Uranium in Water. 2-（（（2,7-二羟基萘-1-基）亚甲基）氨基-3'，6'-双（乙基氨基）-2'，7'-二甲基螺[异吲哚啉-1,9'-黄嘌呤]-3-酮的合成、表征及水中铀的比色检测。
IF 0.6
Molbank Pub Date : 2023-09-01 Epub Date: 2023-09-15 DOI: 10.3390/m1725
Rahisa Mohammed, Peace Ogadi, Dennis M Seth, Amrutaa Vibho, Sarah K Gallant, Rory Waterman
{"title":"Synthesis and Characterization of 2-(((2,7-Dihydroxynaphthalen-1-yl)methylene)amino)-3',6'-bis(ethylamino)-2',7'-dimethylspiro[isoindoline-1,9'-xanthen]-3-one and Colorimetric Detection of Uranium in Water.","authors":"Rahisa Mohammed,&nbsp;Peace Ogadi,&nbsp;Dennis M Seth,&nbsp;Amrutaa Vibho,&nbsp;Sarah K Gallant,&nbsp;Rory Waterman","doi":"10.3390/m1725","DOIUrl":"https://doi.org/10.3390/m1725","url":null,"abstract":"<p><p>2-(((2,7-Dihydroxynaphthalen-1-yl)methylene)amino)-3',6'-bis(ethylamino)-2',7'-dimethyl-spiro[isoindoline-1,9'-xanthen]-3-one was synthesized using Rhodamine 6G hydrazide (prepared using literature methods) and commercially available 2,7-dihydroxynaphthalene-1-carbaldehyde via imine condensation. Structural characterization was performed using FT-IR, <sup>1</sup>H-NMR, <sup>13</sup>C-NMR, X-ray, and HRMS. This Schiff base shows promise as a ligand for the colorimetric analysis of uranium in water.</p>","PeriodicalId":18761,"journal":{"name":"Molbank","volume":"2023 3","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10540563/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41135414","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
(2R,4aS,6aS,12bR,14aS,14bR)10-Hydroxy-N-(4-((6-methoxyquinolin-8-yl)amino)pentyl)-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxamide （2R，4aS，6aS，12bR，14aS，14bR）10-羟基-N-（4-（（6-甲氧基喹啉-8-基）氨基）戊基）-2,4a，6a，9,12b，14a-六甲基-11-氧代-1,2,3,4,4a，5,6,6a，11,12b，13,14,14a，14b-十四氢冰-2-甲酰胺
IF 0.6
Molbank Pub Date : 2023-08-29 DOI: 10.3390/m1716
Yuhan Xie, Houin Kuan, Qin Wei, Alessandra Gianoncelli, G. Ribaudo, P. Coghi
{"title":"(2R,4aS,6aS,12bR,14aS,14bR)10-Hydroxy-N-(4-((6-methoxyquinolin-8-yl)amino)pentyl)-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxamide","authors":"Yuhan Xie, Houin Kuan, Qin Wei, Alessandra Gianoncelli, G. Ribaudo, P. Coghi","doi":"10.3390/m1716","DOIUrl":"https://doi.org/10.3390/m1716","url":null,"abstract":"We herein report the synthesis of a derivative of the natural compound celastrol linked to the antimalarial drug primaquine through an amide obtained by the activation of the carboxylic acid with HOBt/EDC. The chemical structure of the new molecule was fully characterized by proton nuclear magnetic resonance (1H-NMR), carbon-13 nuclear magnetic resonance (13C-NMR), heteronuclear single quantum coherence (HSQC), correlation spectroscopy (1H-1H-COSY), distortionless enhancement by polarization transfer (DEPT), mass spectrometry, Fourier-transform infrared (FTIR), and ultraviolet (UV) spectroscopies. Computational studies were enrolled to predict the interaction of the synthesized compound with sarco-endoplasmic reticulum (SR) Ca2+ transport ATPase (SERCA), a target of relevance for developing new therapeutics against arthritis. The drug-likeness of the compound was also investigated by predicting its pharmacokinetic properties.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44758814","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
Synthesis of a Novel 2-((4,5-Diphenyl-4H-1,2,4-triazol-3-yl)thio)acetaldehyde as a Bisulfite Adduct 新型双硫化物加合物2-（（4,5-二苯基-4H-1,2,4-三唑-3-基）硫代乙醛的合成
IF 0.6
Molbank Pub Date : 2023-08-24 DOI: 10.3390/m1715
B. Pintea, I. Burcă, V. Badea, F. Péter
{"title":"Synthesis of a Novel 2-((4,5-Diphenyl-4H-1,2,4-triazol-3-yl)thio)acetaldehyde as a Bisulfite Adduct","authors":"B. Pintea, I. Burcă, V. Badea, F. Péter","doi":"10.3390/m1715","DOIUrl":"https://doi.org/10.3390/m1715","url":null,"abstract":"The scope of the current work was to synthesize an S-alkylated 1,2,4-triazole-3-thiol derivative. Synthesis was carried out in two steps: in the first step, 4,5-diphenyl-4H-1,2,4-triazole-3-thiol was S-alkylated using a halogenated acetal and cesium carbonate. In the second step, several acetal deprotection procedures were tested, and the aldehyde obtained was isolated as a bisulfite adduct. The structures of the new compounds were characterized by FT-IR, 1D, and 2D NMR spectroscopic methods.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48100161","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)-2-(6-(4′-(Diphenylamino)-[1,1′-biphenyl]-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5(4H)-ylidene)-2-(6-(4′-(diphenylamino)-[1,1′-biphenyl]-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)acetonitrile （E） -2-（6-（4′-（二苯基氨基）-[1,1′-联苯]-2-基）-[1，2，5]恶二唑并[3，4-b]吡嗪-5（4H）-亚基）-2-（6-
IF 0.6
Molbank Pub Date : 2023-08-21 DOI: 10.3390/m1714
Y. Kvashnin, P. Slepukhin, D. Gazizov, E. F. Zhilina, G. Rusinov, E. Verbitskiy, V. Charushin
{"title":"(E)-2-(6-(4′-(Diphenylamino)-[1,1′-biphenyl]-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5(4H)-ylidene)-2-(6-(4′-(diphenylamino)-[1,1′-biphenyl]-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)acetonitrile","authors":"Y. Kvashnin, P. Slepukhin, D. Gazizov, E. F. Zhilina, G. Rusinov, E. Verbitskiy, V. Charushin","doi":"10.3390/m1714","DOIUrl":"https://doi.org/10.3390/m1714","url":null,"abstract":"[1,2,5]Oxadiazolo[3,4-b]pyrazines are of great interest due to their promising photophysical and electrochemical properties, as well their potential use in a wide range of electronic devices. Herein, we report on the preparation of the unexpected product derived from the interaction of 2′-([1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)-N,N-diphenyl-[1,1′-biphenyl]-4-amine with 2-cyanoacetic acid under basic conditions. The resulting product was characterized using 1H and 13C NMR spectra, high resolution mass spectrometry, Fourier-transform infrared spectroscopy (FTIR), and X-ray diffraction analyses. Furthermore, its photophysical and electrochemical properties were studied using cyclic voltammetry, UV–Vis, and emission spectroscopy. The experimental results have been further rationalized through theoretical DFT calculations.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42719067","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
Friedländer-Type Reaction of 4-Cholesten-3-one with 2′-Aminoacetophenone: Angular versus Linear Quinoline-Fused Steroids 4-胆固醇-3-酮与2′-氨基苯乙酮的Friedländer型反应：角型与线性喹啉稠合甾体
IF 0.6
Molbank Pub Date : 2023-08-16 DOI: 10.3390/m1712
Caterina Momoli, Valerio Morlacci, M. Chiarini, L. Palombi, A. Arcadi
{"title":"Friedländer-Type Reaction of 4-Cholesten-3-one with 2′-Aminoacetophenone: Angular versus Linear Quinoline-Fused Steroids","authors":"Caterina Momoli, Valerio Morlacci, M. Chiarini, L. Palombi, A. Arcadi","doi":"10.3390/m1712","DOIUrl":"https://doi.org/10.3390/m1712","url":null,"abstract":"To optimize the experimental conditions used for the Friedländer-type condensation, an angular fused 4-substituted quinoline steroid has been obtained in very high yield and regioselectivity using readily available 4-cholesten-3-one and 2′-aminoacetophenone. Moreover, by varying the reaction conditions and the catalyst, the corresponding linear regioisomer was also achieved with an acceptable isolated yield and high chemoselectivity. Both structures have been definitively elucidated via 2D-NMR and fully characterized.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47184837","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
Pentapotassium Bis(hydrogenphospate) Dihydrogenphospate Monohydrate 二(氢)磷酸二氢一水
IF 0.6
Molbank Pub Date : 2023-08-14 DOI: 10.3390/m1711
Camila Caro Garrido, T. Leyssens, K. Robeyns
{"title":"Pentapotassium Bis(hydrogenphospate) Dihydrogenphospate Monohydrate","authors":"Camila Caro Garrido, T. Leyssens, K. Robeyns","doi":"10.3390/m1711","DOIUrl":"https://doi.org/10.3390/m1711","url":null,"abstract":"The structure of K5(HPO4)2(H2PO4)·H2O was determined via single crystal diffraction. The crystal structures of phosphate salts of potassium have been known since the early days of crystallography. Here, we present a new monohydrate adduct between K2HPO4 and KH2PO4.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44661313","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
Tributyl(1-((dimethylamino)(dimethyliminio)methyl)-1,4-dihydropyridin-4-yl)phosphonium Ditrifluoromethanesulfonate 三丁基(1 - ((dimethyliminio)甲基酯基)1,4-dihydropyridin-4-yl)磷Ditrifluoromethanesulfonate
IF 0.6
Molbank Pub Date : 2023-08-09 DOI: 10.3390/m1710
Y. Gong, J. Ward, K. Rissanen, Florian F. Mulks
{"title":"Tributyl(1-((dimethylamino)(dimethyliminio)methyl)-1,4-dihydropyridin-4-yl)phosphonium Ditrifluoromethanesulfonate","authors":"Y. Gong, J. Ward, K. Rissanen, Florian F. Mulks","doi":"10.3390/m1710","DOIUrl":"https://doi.org/10.3390/m1710","url":null,"abstract":"Site-selective functionalization of pyridines is a crucial tool for the synthesis of diverse pharmaceuticals and materials. We introduced diiminium pyridine adducts as highly convenient and potent Lewis acids. We report that tributylphosphine selectively adds to the 4-position of pyridine in tetramethyldiiminium pyridine ditrifluoromethanesulfonate, resulting in the formation of the title compound. This finding represents an advancement towards the utilization of diiminium units as organic reagents or catalysts for pyridine functionalization. We also employ computational models to determine fluoride and hydride ion affinities, Fukui function f+(r), molecular electrostatic potential, and pKa values, providing valuable insights for future investigations in this area.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":"17 5","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41245324","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)-2-(1,3-Diphenylallyl)-3,5-dimethoxyphenol （E） -2-（1,3-二苯基烯丙基）-3,5-二甲氧基苯酚
IF 0.6
Molbank Pub Date : 2023-08-04 DOI: 10.3390/m1709
Lara Mollà-Guerola, Alejandro Baeza
{"title":"(E)-2-(1,3-Diphenylallyl)-3,5-dimethoxyphenol","authors":"Lara Mollà-Guerola, Alejandro Baeza","doi":"10.3390/m1709","DOIUrl":"https://doi.org/10.3390/m1709","url":null,"abstract":"The synthesis of (E)-2-(1,3-diphenylallyl)-3,5-dimethoxyphenol is described by means of the reaction of 3,5-dimethoxyphenol with (E)-1,3-diphenylprop-2-en-1-ol in 1,1,1,3,3,3-hexafluoroispropanol (HFIP), which acts as a solvent and reaction promoter. The reaction proceeds smoothly to afford the mentioned compound in high yield under a metal and additive-free procedure. The corresponding allylated phenol has been fully characterized.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45966525","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
Isoamyl (E)-3-(3,4-Dimethoxyphenyl)acrylate 异戊基(E) 3 - (3 4-Dimethoxyphenyl)丙烯酸酯
IF 0.6
Molbank Pub Date : 2023-08-02 DOI: 10.3390/m1708
Egar Pamela, Lukman Atmaja, Mardi Santoso
{"title":"Isoamyl (E)-3-(3,4-Dimethoxyphenyl)acrylate","authors":"Egar Pamela, Lukman Atmaja, Mardi Santoso","doi":"10.3390/m1708","DOIUrl":"https://doi.org/10.3390/m1708","url":null,"abstract":"Isoamyl (E)-3-(3,4-dimethoxyphenyl)acrylate (1) was obtained from the 2-methyl-6-nitrobenzoic anhydride (MNBA)/4-dimethylaminopyridine (DMAP)-catalyzed reaction at room temperature for 190 min in dichloromethane with a yield of 95%. The structure of isoamyl (E)-3-(3,4-dimethoxyphenyl)acrylate (1) was elucidated using NMR, FTIR, and high-resolution mass spectrometry. In vitro sun protection factor evaluation exhibited a value of 37.10 ± 0.03 which indicates that isoamyl (E)-3-(3,4-dimethoxyphenyl)acrylate (1) is a sunscreen agent with high protection.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42664499","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
Synthesis of Novel Diterpenic Peptides via the Ugi Reaction and Their Anticancer Activities Ugi反应合成新型二萜肽及其抗癌活性
IF 0.6
Molbank Pub Date : 2023-08-01 DOI: 10.3390/m1707
A.A. Smirnova, L. Zakirova, I. Smirnova, E. Tretyakova
{"title":"Synthesis of Novel Diterpenic Peptides via the Ugi Reaction and Their Anticancer Activities","authors":"A.A. Smirnova, L. Zakirova, I. Smirnova, E. Tretyakova","doi":"10.3390/m1707","DOIUrl":"https://doi.org/10.3390/m1707","url":null,"abstract":"Novel diterpenic peptide derivatives were synthesized via the Ugi four-component reaction at ambient temperature. The protocol employed a reaction between formaldehyde, benzyl amine, the corresponding diterpene acid, and ethyl 2-isocyanoacetate. The anticancer properties of the compounds were studied in vitro.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42699958","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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