Theoretical studies on N-O or N-N bond formation from aryl azide catalyzed by iron(II) bromide complex.
DFT calculations have been carried out to study the reaction mechanism on N-O or N-N bond formation from aryl azide catalyzed by iron(II) bromide complex. A favorable reaction pathway is proposed to account for the construction of the core structure of 2H-indazoles or 2,1-benzisoxazoles.
Department of Chemistry, Jinan University, Guangzhou, Guangdong 510632, P. R. China. tchjli@jnu.edu.cn
Juan
J
Li
Qi
Q
Zhang
Lixin
L
Zhou
D001386:Azides / Q000737:chemistry*; D001965:Bromides / Q000737:chemistry*; D002384:Catalysis; D005296:Ferrous Compounds / Q000737:chemistry*; D007191:Indazoles / Q000138:chemical synthesis* / Q000737:chemistry; D007555:Isoxazoles / Q000138:chemical synthesis* / Q000737:chemistry; D015394:Molecular Structure; D011789:Quantum Theory
D001386:Azides; D001965:Bromides; D005296:Ferrous Compounds; D007191:Indazoles; D007555:Isoxazoles