A simple intermediate for the synthesis of methoxy-analogues of coenzymes Q with substituents having various chain lengths based on natural polyalkoxyallylbenzene apiol has been developed.
{"title":"4,7-Dimethoxy-6-propyl-2H-1,3-benzodioxole-5-carbaldehyde","authors":"D. V. Tsyganov, V. Semenov","doi":"10.3390/m1676","DOIUrl":"https://doi.org/10.3390/m1676","url":null,"abstract":"A simple intermediate for the synthesis of methoxy-analogues of coenzymes Q with substituents having various chain lengths based on natural polyalkoxyallylbenzene apiol has been developed.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49236434","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}
A new emissive heteroleptic Ag(I) complex formulated as [AgL(POP)][PF6] (L = 4,4′-bis (4-Fluorophenyl)-6,6′-dimethyl-2,2′-bipyridine, POP= bis (2-(diphenylphosphino) phenyl) ether) was synthesized and characterized in both the solid state (X-ray crystallography) and the solution. The compound is a yellow-green phosphor (λem = 528 nm), with moderate quantum efficiency (ΦPL = 25% in deaerated dichloromethane).
{"title":"[4,4′-Bis(4-fluorophenyl)-6,6′-dimethyl-2,2′-bipyridine] [bis (2-(diphenylphosphino) phenyl) ether] Silver(I) Hexafluorophosphate","authors":"Dimitrios Glykos, J. Plakatouras, G. Malandrinos","doi":"10.3390/m1675","DOIUrl":"https://doi.org/10.3390/m1675","url":null,"abstract":"A new emissive heteroleptic Ag(I) complex formulated as [AgL(POP)][PF6] (L = 4,4′-bis (4-Fluorophenyl)-6,6′-dimethyl-2,2′-bipyridine, POP= bis (2-(diphenylphosphino) phenyl) ether) was synthesized and characterized in both the solid state (X-ray crystallography) and the solution. The compound is a yellow-green phosphor (λem = 528 nm), with moderate quantum efficiency (ΦPL = 25% in deaerated dichloromethane).","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46249571","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}
M. Novozhilova, Julia Polozhentseva, R. Baichurin, D. Spiridonova, M. Karushev
A nickel complex with a Schiff base Ni(3-tert-butyl-salophen) was synthesized and structurally characterized by single-crystal X-ray diffraction, 1H, 13C{1H}, 1H–13C HMQC, 1H–13C HMBC, 1H-1H dqf-COSY and 1H-1H NOESY NMR spectroscopy, and IR and UV-vis spectroscopy.
{"title":"N,N′-1,2-Phenylene-bis(3-tert-butylsalicylideneiminato)nickel (II)","authors":"M. Novozhilova, Julia Polozhentseva, R. Baichurin, D. Spiridonova, M. Karushev","doi":"10.3390/m1674","DOIUrl":"https://doi.org/10.3390/m1674","url":null,"abstract":"A nickel complex with a Schiff base Ni(3-tert-butyl-salophen) was synthesized and structurally characterized by single-crystal X-ray diffraction, 1H, 13C{1H}, 1H–13C HMQC, 1H–13C HMBC, 1H-1H dqf-COSY and 1H-1H NOESY NMR spectroscopy, and IR and UV-vis spectroscopy.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48020284","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}
The 2-oxo-1,2-dihydroquinolin-8-yl 4-chlorobenzoate was synthesized in good yield using a triethylamine-mediated O-acylation reaction between 8-hydroxyquinolin-2(1H)-one and 4-chlorobenzoyl chloride in acetonitrile at room temperature. This methodology is notable for its clean reaction profile and straightforward procedure. The 2-oxoquinoline derivative was characterized using spectroscopic, spectrometric, and thermal analyses, enabling a comprehensive understanding of its molecular structure and thermal properties.
{"title":"Synthesis, Spectroscopic, and Thermal Analyses of 2-Oxo-1,2-dihydroquinolin-8-yl 4-chlorobenzoate","authors":"Diana Becerra, Hugo Rojas, J. Castillo","doi":"10.3390/m1672","DOIUrl":"https://doi.org/10.3390/m1672","url":null,"abstract":"The 2-oxo-1,2-dihydroquinolin-8-yl 4-chlorobenzoate was synthesized in good yield using a triethylamine-mediated O-acylation reaction between 8-hydroxyquinolin-2(1H)-one and 4-chlorobenzoyl chloride in acetonitrile at room temperature. This methodology is notable for its clean reaction profile and straightforward procedure. The 2-oxoquinoline derivative was characterized using spectroscopic, spectrometric, and thermal analyses, enabling a comprehensive understanding of its molecular structure and thermal properties.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48548475","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}
W. Kozanecka-Okupnik, K. Wurst, Sandro Neuner, S. Nerdinger, T. Gelbrich
The dihydrochloride salt of pexidartinib was synthesized and the crystal structure of its dihydrate was determined from single crystal data. The asymmetric unit consists of one formula unit. In the pexidartinib molecule, the N atom of the central pyridine ring and the pyridine-N atom of the pyrrolopyridine group are both protonated. The pexidartinib molecule forms N–H···O and N–H···Cl interactions with neighboring water molecules and chloride ions, respectively. Water/chloride (O–H···Cl) and water/water (O–H···O) interactions are also observed. Collectively, these intermolecular interactions result in a complex H-bonded framework structure.
{"title":"5-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyridin-2-amine Dihydrochloride Dihydrate","authors":"W. Kozanecka-Okupnik, K. Wurst, Sandro Neuner, S. Nerdinger, T. Gelbrich","doi":"10.3390/m1673","DOIUrl":"https://doi.org/10.3390/m1673","url":null,"abstract":"The dihydrochloride salt of pexidartinib was synthesized and the crystal structure of its dihydrate was determined from single crystal data. The asymmetric unit consists of one formula unit. In the pexidartinib molecule, the N atom of the central pyridine ring and the pyridine-N atom of the pyrrolopyridine group are both protonated. The pexidartinib molecule forms N–H···O and N–H···Cl interactions with neighboring water molecules and chloride ions, respectively. Water/chloride (O–H···Cl) and water/water (O–H···O) interactions are also observed. Collectively, these intermolecular interactions result in a complex H-bonded framework structure.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44115353","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}
Zachary H. Davis, C. Carpenter‐Warren, Laurence J. Taylor, Alexandra M. Z. Slawin, P. Kilian, Brian A. Chalmers
A binuclear tungsten(0) complex with an asymmetric bridging 1,2-diphosphole ligand was prepared by the photolysis of tungsten hexacarbonyl in the presence of 1-isopropyl-2-phenyl-1,2,5,6-tetrahydroacenaphtho [5,6-cd][1,2]diphosphole. The tungsten complex 1 was characterized by high resolution mass spectrometry, multinuclear NMR spectroscopy (1H, 13C, 31P), and elemental microanalysis. The structure of the trans isomer was resolved by single crystal X-ray diffraction, showing a slight elongation of the P−P bond upon coordination to the W(CO)5 groups.
{"title":"(Decacarbonyl)(1-isopropyl-2-phenyl-1,2,5,6-tetrahydroacenaphtho [5,6-cd][1,2]diphosphole)ditungsten(0)","authors":"Zachary H. Davis, C. Carpenter‐Warren, Laurence J. Taylor, Alexandra M. Z. Slawin, P. Kilian, Brian A. Chalmers","doi":"10.3390/m1671","DOIUrl":"https://doi.org/10.3390/m1671","url":null,"abstract":"A binuclear tungsten(0) complex with an asymmetric bridging 1,2-diphosphole ligand was prepared by the photolysis of tungsten hexacarbonyl in the presence of 1-isopropyl-2-phenyl-1,2,5,6-tetrahydroacenaphtho [5,6-cd][1,2]diphosphole. The tungsten complex 1 was characterized by high resolution mass spectrometry, multinuclear NMR spectroscopy (1H, 13C, 31P), and elemental microanalysis. The structure of the trans isomer was resolved by single crystal X-ray diffraction, showing a slight elongation of the P−P bond upon coordination to the W(CO)5 groups.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49095916","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}
Among the methods used for the synthesis of functionalized heterocyclic compounds, photochemistry has gained immense popularity due to the reactivity of intermediates in photoinduced reactions. In this study, we report on the effect of diaryl disulfides as hydrogen atom transfer catalysts on the photoinduced transformations of pyrazolo[1,2-a]pyrazolones. After excitation with visible light, these compounds are susceptible to C–N bond cleavage, followed by intermolecular hydrogen atom abstraction. By modifying the reaction conditions, we have developed two novel methods for the synthesis of highly substituted pyrazoles.
{"title":"Photoinduced Ring Opening of Methyl 1-Aryl-5-oxo-6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazole-2-carboxylates in the Presence of Diaryl Disulfides","authors":"Nejc Petek, Uroš Grošelj","doi":"10.3390/m1670","DOIUrl":"https://doi.org/10.3390/m1670","url":null,"abstract":"Among the methods used for the synthesis of functionalized heterocyclic compounds, photochemistry has gained immense popularity due to the reactivity of intermediates in photoinduced reactions. In this study, we report on the effect of diaryl disulfides as hydrogen atom transfer catalysts on the photoinduced transformations of pyrazolo[1,2-a]pyrazolones. After excitation with visible light, these compounds are susceptible to C–N bond cleavage, followed by intermolecular hydrogen atom abstraction. By modifying the reaction conditions, we have developed two novel methods for the synthesis of highly substituted pyrazoles.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46013064","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}
Sn(IV)-porphyrin complex with trans-dihydroxo axial-ligands and 2-pyridyl peripheral substituents, namely (trans-dihydroxo)[5,10,15,20-tetrakis(2-pyridyl)porphyrinato]tin(IV) was synthesized and fully characterized by various techniques such as elemental analysis, 1H NMR spectroscopy, ESI-MS spectrometry, UV-visible spectroscopy, and fluorescence spectroscopy.
{"title":"(trans-Dihydroxo)Sn(IV)-[5,10,15,20-tetrakis(2-pyridyl)porphyrin]","authors":"N. Shee, Hee-Joon Kim","doi":"10.3390/m1669","DOIUrl":"https://doi.org/10.3390/m1669","url":null,"abstract":"Sn(IV)-porphyrin complex with trans-dihydroxo axial-ligands and 2-pyridyl peripheral substituents, namely (trans-dihydroxo)[5,10,15,20-tetrakis(2-pyridyl)porphyrinato]tin(IV) was synthesized and fully characterized by various techniques such as elemental analysis, 1H NMR spectroscopy, ESI-MS spectrometry, UV-visible spectroscopy, and fluorescence spectroscopy.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48066242","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}
María Ángeles Alcaide González, D. Garrido, E. Álvarez, Riccardo Peloso
N-(diisopropylphosphanyl)benzamide, PhC(O)NHPiPr2, has been synthesized in good yield following two alternative procedures that employ benzamide as the starting material. The first one is a two-step preparation, in which N-(trimetilsilyl)benzamide is reacted with PiPr2Cl to give the title compound in good yield, whereas the second one is a straightforward synthesis which converts benzamide into N-(diisopropylphosphanyl)benzamide by reaction with PiPr2Cl in the presence of N,N-dimethylpyridin-4-amine (DMAP) and triethylamine. NMR spectroscopy and X-ray diffraction analyses have been performed to characterize the new compound and elucidate its molecular structure in the solid state. N-(diisopropylphosphanyl)benzamide adds to the limited family of amido-substituted phosphines, RC(O)NHPR’2, which can be classified as bidentate hybrid P,O-ligands, both in their neutral and anionic forms, the latter achievable by deprotonation of the NH group.
{"title":"N-(diisopropylphosphanyl)benzamide","authors":"María Ángeles Alcaide González, D. Garrido, E. Álvarez, Riccardo Peloso","doi":"10.3390/m1667","DOIUrl":"https://doi.org/10.3390/m1667","url":null,"abstract":"N-(diisopropylphosphanyl)benzamide, PhC(O)NHPiPr2, has been synthesized in good yield following two alternative procedures that employ benzamide as the starting material. The first one is a two-step preparation, in which N-(trimetilsilyl)benzamide is reacted with PiPr2Cl to give the title compound in good yield, whereas the second one is a straightforward synthesis which converts benzamide into N-(diisopropylphosphanyl)benzamide by reaction with PiPr2Cl in the presence of N,N-dimethylpyridin-4-amine (DMAP) and triethylamine. NMR spectroscopy and X-ray diffraction analyses have been performed to characterize the new compound and elucidate its molecular structure in the solid state. N-(diisopropylphosphanyl)benzamide adds to the limited family of amido-substituted phosphines, RC(O)NHPR’2, which can be classified as bidentate hybrid P,O-ligands, both in their neutral and anionic forms, the latter achievable by deprotonation of the NH group.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46980228","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}
Elena V. Steparuk, D. L. Obydennov, V. Sosnovskikh
A two-stage synthesis of 5-aroyl-2-aryl-3-hydroxypyridin-4(1H)-ones (56–66% overall yields) was carried out by refluxing 5-aroyl-3-(benzyloxy)-2-(het)aryl-4H-pyran-4-ones with ammonium acetate in AcOH and subsequent debenzylation. The prepared N-unsubstituted 4-pyridones exist in the pyridone tautomeric form.
{"title":"Synthesis of 5-Aroyl-2-aryl-3-hydroxypyridin-4(1H)-ones","authors":"Elena V. Steparuk, D. L. Obydennov, V. Sosnovskikh","doi":"10.3390/m1668","DOIUrl":"https://doi.org/10.3390/m1668","url":null,"abstract":"A two-stage synthesis of 5-aroyl-2-aryl-3-hydroxypyridin-4(1H)-ones (56–66% overall yields) was carried out by refluxing 5-aroyl-3-(benzyloxy)-2-(het)aryl-4H-pyran-4-ones with ammonium acetate in AcOH and subsequent debenzylation. The prepared N-unsubstituted 4-pyridones exist in the pyridone tautomeric form.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2023-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44233660","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}
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