International Journal of New Chemistry
ISC, DOAJ, CAS, Google Scholar......

The Synthesis of 2, 6 diamino- 3, 5-dinitropyridine from Direct Nitration Reaction of 2, 6 diamino pyridine in Different Temperature Conditions by Density Functional Theory

Document Type : Research Paper

Author

Neda Hajizadeh

Department of Chemistry, Yadegar-e-Imam Khomeini (RAH) Shahre-rey Branch, Islamic Azad University, Tehran, Iran

https://doi.org/10.22034/ijnc.2018.32719
Abstract
 In this article, synthesis of the explosive 2, 6 (diamino) 3, 5 dinitro pyridine (ANPY) of the direct nitration reaction of 2, 6 diamino pyridine in different conditions of temperature, with density functional theory method were studied. For this purpose, at first the material contained in the both sides of reaction were geometrically optimized, then the calculation of the thermodynamic parameters performed on all of them. The amount of ∆H, ∆S and ∆G of this reaction at different temperatures in form of sum of parameters discrepancy in the products than reactants is obtained and finally, the best temperature for the synthesis of explosive according to the obtained thermodynamic parameters were evaluated.

Keywords

Explosives
ANPY
Synthesis
2
6 diamino 3
5 – dinitro pyridine
nitration reaction
[1] T. G. Fox, P. J. Flory, J. Appl. Phys., 21, 581, (1950).
[2] M. R. Jalali Sarvestani, R. Ahmadi, Int. J. New. Chem., 4, 400-408, (2018).
[3] G. J. Price, polymer., 31, 1745 (1990).
[4] R. Kavlock, K. Boekelheide, R. Chapin, M. Cunningham, E. Faustman, P. Foster, M.  Golub, P.Williams, T. Zacharewski, Reprod. Toxicol., 16, 721 (2002).
[5] M. R. Jalali Sarvestani, R. Ahmadi, Int. J. New. Chem., 5, 409 (2018).
 [6] W.Rodolf, S. Johnson, New Encyclopedia Britannica, Micropaedia, 1, 247 (1974).
[7] W. Jackson, M. Norman, J. Chem. Soc.,12, 268 (1969).
[8] M. Gordon, T. Wolfhesin, Research and Engineering Company, G.B. Patent, 1338778,(1973).
[9] R. Heinz, P. Theodor, Hoechst AG Company, U.S. Patent, 4719304, (1988).
[10] G. Johnson, M.R. Pavia, G. Johnson, Warner Lambert Company, U.S. Patent,4826860, (1989).
[11] P. Rocío, C. Javier, C. Clementina, R. Julieta, Bioorg. Med. Chem. Letters, 15 (5),1417 (2005).
[12] A. Rana, N. Siddiqui, A.Khansuroor, Eur. J. Med. Chem., 43 (2), 173 (2008).
 
.
International Journal of New Chemistry
Volume 5, Issue 2
Spring 2018
Pages 40-47

Home

Reviewers