{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["23(5)"],"submitter":["Casas-Hinestroza JL"],"pubmed_abstract":["Reaction between pyrogallol and benzaldehyde results in a conformational mixture of C-tetra(phenyl)pyrogallol[4]arene (crown and chair). The conformer mixture was separated using crystallization procedures and the structures were determined using FTIR, ¹H-NMR, and 13C-NMR. O-acetylation of C-tetra(phenyl)pyrogallol[4]arene (chair) with acetic anhydride, in pyridine results in the formation of dodecaacetyl-tetra(phenyl)pyrogallol[4]arene. The structure was determined using ¹H-NMR and 13C-NMR finding that the product maintains the conformation of the starting conformer. On the other hand, the O-acetylation reaction of C-tetra(phenyl)pirogallol[4]arene (crown) under same conditions proceeded efficiently, and its structure was determined using ¹H-NMR and 13C-NMR. Dynamic ¹H-NMR of acetylated pyrogallolarene was studied by means of variable temperature in DMSO-d₆ solution, and it revealed that two conformers are formed in the solution. Boat conformations for acetylated pyrogallolarene showed a slow interconversion at room temperature."],"journal":["Molecules (Basel, Switzerland)"],"pagination":["E1225"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC6100403"],"repository":["biostudies-literature"],"pubmed_title":["Conformational Aspects of the O-acetylation of C-tetra(phenyl)calixpyrogallol[4]arene."],"pmcid":["PMC6100403"],"pubmed_authors":["Casas-Hinestroza JL","Maldonado M"],"additional_accession":[]},"is_claimable":false,"name":"Conformational Aspects of the O-acetylation of C-tetra(phenyl)calixpyrogallol[4]arene.","description":"Reaction between pyrogallol and benzaldehyde results in a conformational mixture of C-tetra(phenyl)pyrogallol[4]arene (crown and chair). The conformer mixture was separated using crystallization procedures and the structures were determined using FTIR, ¹H-NMR, and 13C-NMR. O-acetylation of C-tetra(phenyl)pyrogallol[4]arene (chair) with acetic anhydride, in pyridine results in the formation of dodecaacetyl-tetra(phenyl)pyrogallol[4]arene. The structure was determined using ¹H-NMR and 13C-NMR finding that the product maintains the conformation of the starting conformer. On the other hand, the O-acetylation reaction of C-tetra(phenyl)pirogallol[4]arene (crown) under same conditions proceeded efficiently, and its structure was determined using ¹H-NMR and 13C-NMR. Dynamic ¹H-NMR of acetylated pyrogallolarene was studied by means of variable temperature in DMSO-d₆ solution, and it revealed that two conformers are formed in the solution. Boat conformations for acetylated pyrogallolarene showed a slow interconversion at room temperature.","dates":{"release":"2018-01-01T00:00:00Z","publication":"2018 May","modification":"2025-04-21T14:59:55.337Z","creation":"2019-03-27T00:06:40Z"},"accession":"S-EPMC6100403","cross_references":{"pubmed":["29783780"],"doi":["10.3390/molecules23051225"]}}