Category: benzofurans. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Isoquinolin-3-ol, is researched, Molecular C9H7NO, CAS is 134434-31-4, about A thermochemistry and kinetic study on the thermal decomposition of ethoxyquinoline and ethoxyisoquinoline. Author is El-Demerdash, Safinaz H.; El-Gogary, Tarek M.; El-Nahas, Ahmed M..
Quantum chem. calculations were used to study the production of ethylene and keto/enol tautomers from ethoxyquinoline (2-Equiv) and ethoxyisoquinoline (1-EisoQ and 3-EisoQ) in the gas phase and ethanol at the MP2/6-311++G(2d,2p)//BMK/6-31+G(d,p) level. The obtained data indicate that the elimination of ethylene from 1-EisoQ and 2-Equiv is slightly more favorable than from 3-EisoQ. Formation of quinolone and isoquinolone (2-EQO, 1-EisoQO, and 3-EisoQO) is kinetically favored compared to their enols. Decomposition of 2-Equiv and 1-EisoQ to ethylene and keto forms is thermodynamically and kinetically preferable more stable than the corresponding enols. However, the hydroxy form of 3-EisoQ is more stable than its keto tautomer in the gas phase and ethanol. The enol tautomers cost less energy when formed from their keto forms rather than from the parent ethoxyquinolone and ethoxyisoquinoline.
Here is just a brief introduction to this compound(134434-31-4)Category: benzofurans, more information about the compound(Isoquinolin-3-ol) is in the article, you can click the link below.
Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem