928615-68-3

Basic information

• Product Name: C₅₂H₄₀O₁₂
• Synonyms: C₅₂H₄₀O₁₂
• CAS NO: 928615-68-3
• Molecular Weight: 856.882
• Mol File: 928615-68-3.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: C₅₂H₄₀O₁₂(CAS DataBase Reference)
• NIST Chemistry Reference: C₅₂H₄₀O₁₂(928615-68-3)
• EPA Substance Registry System: C₅₂H₄₀O₁₂(928615-68-3)

Safety Data

• Hazardous Substances Data: 928615-68-3(Hazardous Substances Data)

Upstream product

• 100-52-7 benzaldehyde 
• 87-66-1 2-hydroxyresorcinol 

Relevant articles and documents

Conformational Aspects of the O-acetylation of C-tetra(phenyl)calixpyrogallol[4]arene

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, and13C-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 using1H-NMR and13C-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 using1H-NMR and13C-NMR. Dynamic1H-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.