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Theoretical insights into the synthesis mechanism of two amino‐substituted derivatives of <scp>FOX</scp>‐7

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Authors: Fangjian Shang, Ting Wang, Yinhua Ma, Meiheng Lv

Year

2022

Paper ID

11869

Status

Peer-reviewed

Abstract Read

~2 min

Abstract Words

86

Citations

1

Abstract

AbstractFOX‐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.

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  • AbstractFOX‐7 is a typical high‐energy and low‐sensitivity material.

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References & Citation Signals

[1] DOI https://doi.org/10.1002/qua.27074 [2] Publisher https://doi.org/10.1002/qua.27074

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