Discovery of Isoxazole

Related Products of 288-14-2, Because a catalyst decreases the height of the energy barrier, its presence increases the reaction rates of both the forward and the reverse reactions by the same amount.288-14-2, Name is Isoxazole, molecular formula is C3H3NO. In a article£¬once mentioned of 288-14-2

Thermal Decomposition of Isoxazole. Experimental and Modeling Study

The thermal decomposition of isoxazole was studied behind reflected shocks in a pressurized-driver single-pulse shock tube over the temperature range 850-1100 K and overall densities of ca. 3*10 -5 mol/cm3.Acetonitrile and carbon monoxide are the major decomposition products, followed by hydrogen cyanide, acrylonitrile, propionitrile, and acetylene.Methane, ethylene, and ethane are produced in smaller quantities.There is no effect of large quantities of toluene (/ ca. 10) on the rate of formation of acetonitrile and carbon monoxide, indicating that the latter are formed in a unimolecular process.It is suggested that this reaction channel in the decomposition of isoxazole involves a simultaneous N-O bond cleavage in the 1-2 position, a hydrogen atom shift from position 5 to 4, and a rupture of the C(4)-C(5) bond with the removal of carbon monoxide from the ring: (1) C3H3ON -> CH3CN + CO.This process requires a very small N-O bond stretch which results in a very stiff transition structure.The rate constant for this reaction is k1 = 1011.94 exp(-44*103/RT)s-1.Since several products are formed by free-radical reactions, it is suggested that the initiation of free radicals involves the same reaction which proceeds at a much lower rate than reaction 1.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 288-14-2

Reference£º
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem