Cycloaddition of Benzonitrile Oxide to Acetonitrile, Propyne and Propene − A Comparative Theoretical Study of the Reaction Mechanism and Regioselectivity Quantum chemical calculations (MP2/6-31G* and B3LYP/6-31G*) were used to compare the reactivity, regioselectivity and orbital involvement of the ...
Uses of 2,3-Dimethylbenzonitrile: it can be used to produce 2,3-dimethyl-benzoic acid at temperature of 200 ℃. This reaction will need reagent sodium hydroxide, potassium, hydroxide and water. When you are using this chemical, please be cautious about it as the following: This chemical is...
excellent yields without isolation of diazonium salts. The transformation has short reaction times, a simple workup, and insensitivity to moisture and air and avoids excess halogenation. DFT calculations support a SRN1 mechanism. This method represents a convenient alternative to the classic Sandmeyer ...