loading page

Theoretical insights into the synthesis mechanism of two amino-substituted derivatives of FOX-7
  • +1
  • fangjian shang,
  • ting wang,
  • yinhua ma,
  • Meiheng Lv
fangjian shang
Binzhou University
Author Profile
ting wang
Binzhou Polytechnic
Author Profile
yinhua ma
Dalian Maritime University
Author Profile
Meiheng Lv
Shenyang University of Chemical Technology
Author Profile


FOX-7 is a typical high-energy and low-sensitivity material. Due to the unique “push-pull” nitroenamine structure, abundant derivatives with good performance can be synthesized. DFT method is used to study the synthesis mechanism for two FOX-7 amino-substituted derivatives. The synthesis mechanism of amino-substituted derivative MTNzA is cyclization followed by isomerization, which is different from the pathway of isomerization followed by cyclization proposed by previous authors. Carbohydrazide is tend reacted with two FOX-7 to produce BADCh, rather than ring formation with one FOX-7.