Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 14400-67-0, Name is 2,5-Dimethylfuran-3(2H)-one, molecular formula is C6H8O2, belongs to benzofurans compound. In a document, author is Rybalkin, V. P., introduce the new discover, Application In Synthesis of 2,5-Dimethylfuran-3(2H)-one.
Unexpected Dual Acylation of Naphtho[2,1-b]furan at the Aryl and Hetaryl Ring: Experimental and Theoretical Study
Depending on the reaction conditions, the acylation of 2-ethylnaphtho[2,1-b]furan leads to the formation of a mixture of 1-acetyl-, 5-acetyl-, and 1,5-diacetyl derivatives with a widely varying ratio of components, the structure of which has been characterized by IR and NMR spectroscopy, mass spectrometry, and X-ray diffraction analysis methods. Quantum-chemical simulations using the DFT B3LYP/6-311++G** method have reproduced the experimental geometry of isomeric acetyl[2,1-b]furans and indicated their close thermodynamic stability. However, the Fukui indices of the reactivity f(-) have indicated the preference of the primary attack of the electrophile at the C-5 position (f(-) = 0.18) as compared to the C-1 position (f(-) = 0.06).
Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 14400-67-0. Application In Synthesis of 2,5-Dimethylfuran-3(2H)-one.
Reference:
Benzofuran – Wikipedia,
,Benzofuran | C8H6O – PubChem