One-step synthesis of 6-amino-5-nitro-2-(trinitromethyl)-pyrimidin-4(3H)-one as potential energetic material

Ying Li; Honglei Xia; Siwei Song; Kangcai Wang; Qinghua Zhang

doi:10.1016/j.inoche.2023.110673

One-step synthesis of 6-amino-5-nitro-2-(trinitromethyl)-pyrimidin-4(3H)-one as potential energetic material

Ying Li
, Honglei Xia
, Siwei Song
, Kangcai Wang
, Qinghua Zhang

School of Astronautics

China Academy of Engineering Physics

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

The first trinitromethyl-substituted pyrimidine derivative (3) was synthesized by direct nitration of its 2-methylpyrimidine precursor, and its structure was thoroughly characterized by FTIR, NMR, elemental analysis, and single-crystal X-ray diffraction. Compound 3 has a high density (1.85 g cm⁻³) and excellent detonation performances (v_D = 8600 m s⁻¹, P = 32.8 GPa), which highlights its great potential as high-energy density material. Furthermore, this work provides a mild and efficient method for the synthesis of trinitromethyl-substituted pyrimidine derivatives, which might have potential application in the design and synthesis of other trinitromethyl-based heterocyclic compounds.

Original language	English
Article number	110673
Journal	Inorganic Chemistry Communications
Volume	152
DOIs	https://doi.org/10.1016/j.inoche.2023.110673
State	Published - Jun 2023

Keywords

Crystal structures
Detonation performances
Energetic materials
Pyrimidine derivatives
Trinitromethyl group

Access to Document

10.1016/j.inoche.2023.110673

Cite this

@article{edcabfd11dda483890c515c66b17c546,

title = "One-step synthesis of 6-amino-5-nitro-2-(trinitromethyl)-pyrimidin-4(3H)-one as potential energetic material",

abstract = "The first trinitromethyl-substituted pyrimidine derivative (3) was synthesized by direct nitration of its 2-methylpyrimidine precursor, and its structure was thoroughly characterized by FTIR, NMR, elemental analysis, and single-crystal X-ray diffraction. Compound 3 has a high density (1.85 g cm−3) and excellent detonation performances (vD = 8600 m s−1, P = 32.8 GPa), which highlights its great potential as high-energy density material. Furthermore, this work provides a mild and efficient method for the synthesis of trinitromethyl-substituted pyrimidine derivatives, which might have potential application in the design and synthesis of other trinitromethyl-based heterocyclic compounds.",

keywords = "Crystal structures, Detonation performances, Energetic materials, Pyrimidine derivatives, Trinitromethyl group",

author = "Ying Li and Honglei Xia and Siwei Song and Kangcai Wang and Qinghua Zhang",

note = "Publisher Copyright: {\textcopyright} 2023 Elsevier B.V.",

year = "2023",

month = jun,

doi = "10.1016/j.inoche.2023.110673",

language = "英语",

volume = "152",

journal = "Inorganic Chemistry Communications",

issn = "1387-7003",

publisher = "Elsevier B.V.",

}

TY - JOUR

T1 - One-step synthesis of 6-amino-5-nitro-2-(trinitromethyl)-pyrimidin-4(3H)-one as potential energetic material

AU - Li, Ying

AU - Xia, Honglei

AU - Song, Siwei

AU - Wang, Kangcai

AU - Zhang, Qinghua

PY - 2023/6

Y1 - 2023/6

N2 - The first trinitromethyl-substituted pyrimidine derivative (3) was synthesized by direct nitration of its 2-methylpyrimidine precursor, and its structure was thoroughly characterized by FTIR, NMR, elemental analysis, and single-crystal X-ray diffraction. Compound 3 has a high density (1.85 g cm−3) and excellent detonation performances (vD = 8600 m s−1, P = 32.8 GPa), which highlights its great potential as high-energy density material. Furthermore, this work provides a mild and efficient method for the synthesis of trinitromethyl-substituted pyrimidine derivatives, which might have potential application in the design and synthesis of other trinitromethyl-based heterocyclic compounds.

AB - The first trinitromethyl-substituted pyrimidine derivative (3) was synthesized by direct nitration of its 2-methylpyrimidine precursor, and its structure was thoroughly characterized by FTIR, NMR, elemental analysis, and single-crystal X-ray diffraction. Compound 3 has a high density (1.85 g cm−3) and excellent detonation performances (vD = 8600 m s−1, P = 32.8 GPa), which highlights its great potential as high-energy density material. Furthermore, this work provides a mild and efficient method for the synthesis of trinitromethyl-substituted pyrimidine derivatives, which might have potential application in the design and synthesis of other trinitromethyl-based heterocyclic compounds.

KW - Crystal structures

KW - Detonation performances

KW - Energetic materials

KW - Pyrimidine derivatives

KW - Trinitromethyl group

UR - https://www.scopus.com/pages/publications/85151884792

U2 - 10.1016/j.inoche.2023.110673

DO - 10.1016/j.inoche.2023.110673

M3 - 文章

AN - SCOPUS:85151884792

SN - 1387-7003

VL - 152

JO - Inorganic Chemistry Communications

JF - Inorganic Chemistry Communications

M1 - 110673

ER -

One-step synthesis of 6-amino-5-nitro-2-(trinitromethyl)-pyrimidin-4(3H)-one as potential energetic material

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this