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Bis(N-tert-butylacetamido)(dimethylamido)(chloro)titanium 双(N-叔丁基乙酰氨基)(二甲基氨基)(氯)钛
Molbank Pub Date : 2024-03-06 DOI: 10.3390/m1786
D. M. Seth, Rory Waterman
{"title":"Bis(N-tert-butylacetamido)(dimethylamido)(chloro)titanium","authors":"D. M. Seth, Rory Waterman","doi":"10.3390/m1786","DOIUrl":"https://doi.org/10.3390/m1786","url":null,"abstract":"The titanium amidate compound bis(N-tert-butylacetamido)(dimethylamido)(chloro)titanium was synthesized by the protonolysis of tris(dimethylamido)(chloro)titanium and structurally characterized by 1H and 13C NMR spectroscopy as well as X-ray diffraction. The compound does not appear to react cleanly nor readily with routine alkylating agents such as sec-butyllithium, benzyl potassium, or trimethylsilyl methyllithium.","PeriodicalId":509184,"journal":{"name":"Molbank","volume":"142 37","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140078277","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-((5-(3-(2-Fluorophenyl)acryloyl)-4-methylthiazol-2-yl)amino)isoindoline-1,3-dione 2-((5-(3-(2-氟苯基)丙烯酰基)-4-甲基噻唑-2-基)氨基)异吲哚啉-1,3-二酮
Molbank Pub Date : 2024-03-06 DOI: 10.3390/m1785
O.-M. V. Fedusevych, A. Lozynskyi, M. Sulyma, Roman Lesyk
{"title":"2-((5-(3-(2-Fluorophenyl)acryloyl)-4-methylthiazol-2-yl)amino)isoindoline-1,3-dione","authors":"O.-M. V. Fedusevych, A. Lozynskyi, M. Sulyma, Roman Lesyk","doi":"10.3390/m1785","DOIUrl":"https://doi.org/10.3390/m1785","url":null,"abstract":"In this work, the title compound was synthesized via the Claisen–Schmidt condensation of a 2-((5-acetyl-4-methylthiazol-2-yl)amino)isoindoline-1,3-dione with 2-fluorobenzaldehyde. The structure of the synthesized compound (yield 62%) was confirmed by 1H, 13C NMR, and LC–MS spectra. According to US NCI protocols, the compound displayed a high level of antimitotic activity against tested human tumor cells, with mean GI50/TGI values of 15.72/50.68 μM. The drug-like properties of the synthesized compound were evaluated using SwissAdme, revealing satisfactory drug-like parameters, and it presents interest for the design of new synthetic agents with biological activity.","PeriodicalId":509184,"journal":{"name":"Molbank","volume":"132 42","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140078727","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
(10E,15Z)-12-(Dimethylsulfonio)-9,13-dihydroxyoctadeca-10,15-dienoate (10E,15Z)-12-(二甲基磺酰基)-9,13-二羟基十八碳-10,15-二烯酸酯
Molbank Pub Date : 2024-03-03 DOI: 10.3390/m1784
Haruka Nishino, Bo-Tao Zhang, Hajime Uchida, Michiya Kamio, Hiroshi Nagai, Masayuki Satake
{"title":"(10E,15Z)-12-(Dimethylsulfonio)-9,13-dihydroxyoctadeca-10,15-dienoate","authors":"Haruka Nishino, Bo-Tao Zhang, Hajime Uchida, Michiya Kamio, Hiroshi Nagai, Masayuki Satake","doi":"10.3390/m1784","DOIUrl":"https://doi.org/10.3390/m1784","url":null,"abstract":"A novel oxylipin, okeanoate (1), was isolated from the Okinawan cyanobacterium Okeania hirsuta. The structure of 1 was elucidated based on spectroscopic data including 1D and 2D NMR, as well as high-resolution mass spectrometry. This is the first oxylipin with a dimethylsulfonium moiety in the middle of the hydrocarbon chain.","PeriodicalId":509184,"journal":{"name":"Molbank","volume":"21 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140081316","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 (Z)-3-Allyl-5-(4-nitrobenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one and Determination of Its Crystal Structure (Z)-3-Allyl-5-(4-nitrobenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one 的合成及其晶体结构的测定
Molbank Pub Date : 2024-03-01 DOI: 10.3390/m1783
Bastien Moreno, I. Jourdain, M. Knorr, Sarra Boudriga, Carsten Strohmann, Tobias Schrimpf
{"title":"Synthesis of (Z)-3-Allyl-5-(4-nitrobenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one and Determination of Its Crystal Structure","authors":"Bastien Moreno, I. Jourdain, M. Knorr, Sarra Boudriga, Carsten Strohmann, Tobias Schrimpf","doi":"10.3390/m1783","DOIUrl":"https://doi.org/10.3390/m1783","url":null,"abstract":"To extend the existing library of arylidenerhodanines which display a potential biological activity, 3-N-allylrhodanine 1 was condensed under Knoevenagel conditions with p-nitrobenzaldehyde in acetic acid to afford the π-conjugated heterocyclic compound 3-allyl-5-(4-nitrobenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one 2. Compound 2 was characterized by IR and NMR spectroscopy, and its UV-vis spectrum was compared with that of compound 3-allyl-5-(4-methoxybenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one 3. The molecular structure is ascertained by a single-crystal X-ray diffraction study performed at 100 K.","PeriodicalId":509184,"journal":{"name":"Molbank","volume":" 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140090855","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-(2-Chloroethoxy)-1-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde 3-(2-氯乙氧基)-1-(4-甲氧基苯基)-1H-吡唑-4-甲醛
Molbank Pub Date : 2024-03-01 DOI: 10.3390/m1782
Gabrielė Varvuolytė, Aurimas Bieliauskas, N. Kleizienė, A. Žukauskaitė, Algirdas Šačkus
{"title":"3-(2-Chloroethoxy)-1-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde","authors":"Gabrielė Varvuolytė, Aurimas Bieliauskas, N. Kleizienė, A. Žukauskaitė, Algirdas Šačkus","doi":"10.3390/m1782","DOIUrl":"https://doi.org/10.3390/m1782","url":null,"abstract":"Herein, we describe the synthesis of 3-(2-chloroethoxy)-1-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde via the Vilsmeier-Haack reaction. The structure of this previously unreported compound is thoroughly elucidated through NMR, FT-IR spectroscopy and HRMS spectrometry.","PeriodicalId":509184,"journal":{"name":"Molbank","volume":"86 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140086971","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
5-Fluorouracil/Coumarin and 5-Fluorouracil/Chromone Hybrids: Synthesis and Drug-Likeness Modeling 5-Fluorouracil/Coumarin and 5-Fluorouracil/Chromone Hybrids：合成和药物相似性建模
Molbank Pub Date : 2024-02-28 DOI: 10.3390/m1779
Laura Giraldo-Arroyave, Andrés F. Yepes, Wilson Cardona-Galeano
{"title":"5-Fluorouracil/Coumarin and 5-Fluorouracil/Chromone Hybrids: Synthesis and Drug-Likeness Modeling","authors":"Laura Giraldo-Arroyave, Andrés F. Yepes, Wilson Cardona-Galeano","doi":"10.3390/m1779","DOIUrl":"https://doi.org/10.3390/m1779","url":null,"abstract":"A series of 5-fluorouracil/coumarin and 5-fluorouracil/chromone hybrids were synthesized with good yields using click chemistry as the key step. The structures of these compounds and all intermediates were elucidated by spectroscopic analysis. Furthermore, pharmacokinetic and drug-like computations taken together indicated that the novel hybrids have a strong possibility to advance to further biological studies.","PeriodicalId":509184,"journal":{"name":"Molbank","volume":"47 20","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140419141","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
(N,N′-Di-tert-butyl-S-phenylsulfinimidamidato-κN,κN′)-chlorogermanium-κGe-chloro(η2,η2-cycloocta-1,5-diene)rhodium (N,N′-二叔丁基-S-苯基亚磺酰亚胺-κN,κN′)-氯锗-κGe-氯(η2,η2-环辛烷-1,5-二烯)铑
Molbank Pub Date : 2024-02-28 DOI: 10.3390/m1781
Narimi Hosoda, Akihiko Ishii, N. Nakata
{"title":"(N,N′-Di-tert-butyl-S-phenylsulfinimidamidato-κN,κN′)-chlorogermanium-κGe-chloro(η2,η2-cycloocta-1,5-diene)rhodium","authors":"Narimi Hosoda, Akihiko Ishii, N. Nakata","doi":"10.3390/m1781","DOIUrl":"https://doi.org/10.3390/m1781","url":null,"abstract":"The title complex [{PhS(tBuN)2}(Cl)Ge:→RhCl(cod)] (2) was synthesized by the reaction of three-coordinated chlorogermylene, [PhS(tBuN)2]GeCl (1), supported by a diimidosulfinate ligand with a half equivalent of [RhCl(cod)]2 in benzene. The molecular structure of 2 was determined by 1H and 13C NMR spectroscopies and single-crystal X-ray diffraction (SCXRD) analysis. The electronic property of germylene 1 was assessed by determining the Tolman electronic parameter of the corresponding cis-dicarbonyl Rh(I) complex, [{PhS(tBuN)2}(Cl)Ge:→RhCl(CO)2] (3), that was prepared by the treatment of 2 with carbon monoxide.","PeriodicalId":509184,"journal":{"name":"Molbank","volume":"21 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140419908","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
1,4-Bis(2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl)piperazine 1,4-Bis(2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl)piperazine
Molbank Pub Date : 2024-02-28 DOI: 10.3390/m1780
N. Li-Zhulanov, A. Rogachev, Yu. V. Gatilov, K. Volcho, N. Salakhutdinov
{"title":"1,4-Bis(2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl)piperazine","authors":"N. Li-Zhulanov, A. Rogachev, Yu. V. Gatilov, K. Volcho, N. Salakhutdinov","doi":"10.3390/m1780","DOIUrl":"https://doi.org/10.3390/m1780","url":null,"abstract":"The reaction of (−)-nopol mesylate with piperazine in acetonitrile under reflux, afforded symmetric 1,4-bis(2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl)piperazine in a good yield. The compound was fully characterized and its structure was confirmed using X-ray diffraction analysis.","PeriodicalId":509184,"journal":{"name":"Molbank","volume":"95 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140421868","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-Methyl-4-Oxo-4,5-Dihydro-1H-Pyrrole-3-Carboxylic Acid Phenylamide 2-甲基-4-氧代-4,5-二氢-1H-吡咯-3-羧酸苯甲酰胺
Molbank Pub Date : 2024-02-28 DOI: 10.3390/m1778
P. Angelov, Pavel Yanev
{"title":"2-Methyl-4-Oxo-4,5-Dihydro-1H-Pyrrole-3-Carboxylic Acid Phenylamide","authors":"P. Angelov, Pavel Yanev","doi":"10.3390/m1778","DOIUrl":"https://doi.org/10.3390/m1778","url":null,"abstract":"2-Methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylic acid phenylamide was obtained as a single product in an experiment on the cyclization modes of a glycine-derived enamino amide. High yield and operational simplicity are the main features of the presented synthetic procedure. Additionally, this result extends our previous observations on the cyclization reactions of similarly functionalized enamines, by revealing the preferred cyclization pathway under Boc-deprotection conditions.","PeriodicalId":509184,"journal":{"name":"Molbank","volume":"24 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140421507","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
2,3,5,6-Tetrafluoro-[N-(3-aminopropyl)-ε-caprolactam]-4-pyridine 2,3,5,6-四氟-[N-(3-氨基丙基)-ε-己内酰胺]-4-吡啶
Molbank Pub Date : 2024-02-22 DOI: 10.3390/m1777
Chadron M. Friesen, Nathan J. Weeks, Scott T. Iacono
{"title":"2,3,5,6-Tetrafluoro-[N-(3-aminopropyl)-ε-caprolactam]-4-pyridine","authors":"Chadron M. Friesen, Nathan J. Weeks, Scott T. Iacono","doi":"10.3390/m1777","DOIUrl":"https://doi.org/10.3390/m1777","url":null,"abstract":"The title compound was synthesized at a near-quantitative yield using the nucleophilic aromatic substitution of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) with perfluoropyridine (PFP). The purity and structure were determined by NMR (1H, 13C, 19F), GC-EIMS, and single-crystal X-ray crystallography.","PeriodicalId":509184,"journal":{"name":"Molbank","volume":"14 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140438736","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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