Bis(dinitropyrazolyl)methanes spruced up with hydroxyl groups: high performance energetic salts with reduced sensitivity
Literature Information
Prachi Bhatia, Krishna Pandey, Priyanka Das, Dheeraj Kumar
With an aim to improve the overall physical stability of high-performing 3,5-dinitro-functionalised bispyrazolymethanes, a hydroxyl functionality was introduced at the fourth position to obtain 1,1′-methylenebis(3,5-dinitro-1H-pyrazol-4-ol) and its energetic salts. Superior oxygen balance and energy in comparison to the amino substituent at the 4th position and enhanced sensitivity with respect to the nitro and azido substituents helped in unlocking the potential of less explored N-alkylated-4-hydroxy-3,5-dinitropyrazoles. Fine-tuning of properties via dicationic salt formation, which is not feasible in any other reported symmetrically connected pyrazole-based energetic materials, resulted in improved physical and thermal stabilities, as well as energetic performance. Hirshfeld surface analysis, electrostatic potential analysis, the study of aromaticity and weakest Mayer-bond order analysis helped further in studying the structure–property relationship of the synthesized compounds with respect to different reported methylene-bridged symmetrical compounds.
Recommended Journals

Current Opinion in Colloid & Interface Science

Russian Journal of Coordination Chemistry

Current Opinion in Solid State & Materials Science

Crystallography Reports

Chemistry Education Research and Practice

Russian Chemical Bulletin

Nature Medicine

Drug Discovery Today

Saudi Pharmaceutical Journal

Russian Journal of Applied Chemistry
Related Literature
Theoretical analysis of crystallization by homogeneous nucleation of water droplets
Kyoko K. Tanaka, Yuki Kimura
DOI: 10.1039/C8CP06650G
Self-assembled structure and dynamics of imidazolium-based protic salts in water solution
R. Vijayaraghavan, Douglas R. MacFarlane
DOI: 10.1039/C8CP07254J
Surface faceting and compositional evolution of Pd@Au core–shell nanocrystals during in situ annealing
Zhemin Wu, Min Tang, Xiaoyan Li, Sai Luo, Wentao Yuan, Beien Zhu, Hui Zhang, Hangsheng Yang, Yi Gao, Yong Wang
DOI: 10.1039/C8CP07576J
Morphology evolution of magnesium facets: DFT and KMC simulations
Drejc Kopač, Tanja Bančič
DOI: 10.1039/C8CP06171H
Effect of polyhedron deformation on the 5d energy level of Ce3+ in lanthanide aluminum perovskites
Quanlin Liu
DOI: 10.1039/C8CP06052E
Detailed kinetics of tetrafluoroethene ozonolysis
Minh v. Duong, Hieu T. Nguyen, Lam K. Huynh
DOI: 10.1039/C8CP05386C
The effect of electrostatic interactions on the formation of pharmaceutical eutectics
W. Smolka, J. Zotova, J. Knapik-Kowalczuk, A. Sherif, L. Tajber, M. Paluch
DOI: 10.1039/C8CP05905E
Interfacial barriers to gas transport in zeolites: distinguishing internal and external resistances
Ravi C. Dutta, Suresh K. Bhatia
DOI: 10.1039/C8CP05834B
You might also like
What is 3-Fluoro-2-methylbenzylamine (CAS: 771573-36-5)?
3-Fluoro-2-methylbenzylamine is an organic compound with the CAS number 771573-3...
Is Tert-butyl 2-(oxetan-3-ylidene)acetate (CAS: 1207175-03-8) safe?
Tert-butyl 2-(oxetan-3-ylidene)acetate is considered safe for its intended uses ...
What precautions should be taken when handling 4-Acetyl-2-fluorobenzonitrile (CAS: 214760-18-6)?
Proper personal protective equipment (PPE) such as gloves, goggles, and a lab co...
How is 2-Ethyl-4-methyl-1,3-thiazole (CAS: 15679-12-6) typically synthesized?
2-Ethyl-4-methyl-1,3-thiazole is commonly synthesized via the reaction of thiour...
How should 5',5''-([2,2'-Bithiophene]-5,5'-diyl)bis(([1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid)) (CAS: 1227780-71-3) be stored?
This compound should be stored in a cool, dry place away from direct sunlight an...
What regulatory guidelines apply to L-Lysine Acetate Salt (CAS: 52315-92-1)?
L-Lysine Acetate Salt (CAS: 52315-92-1) is subject to various regulatory guideli...
Is 6-Fluoro-3-hydroxy-2-pyrazinecarboxamide (CAS: 259793-96-9) safe?
6-Fluoro-3-hydroxy-2-pyrazinecarboxamide (CAS: 259793-96-9) is generally conside...
What are the physical and chemical properties of 1,1'-Sulfonylbis(1H-imidazole) (CAS: 7189-69-7)?
1,1'-Sulfonylbis(1H-imidazole) is a crystalline solid with a molecular weight of...
What industries use 4-methyl-7-nitro-1H-indole-3-carbonitrile (CAS: 289483-82-5)?
4-Methyl-7-nitro-1H-indole-3-carbonitrile (CAS: 289483-82-5) is primarily used i...
How should waste containing 5-Bromo-3-indolyl-beta-galactoside (CAS: 97753-82-7) be handled?
Waste containing 5-Bromo-3-indolyl-beta-galactoside (CAS: 97753-82-7) should be ...
Source Journal
Chemical Communications

ChemComm publishes urgent research which is of outstanding significance and interest to experts in the field, while also appealing to the journal’s broad chemistry readership. Our communication format is ideally suited to short, urgent studies that are of such importance that they require accelerated publication. Our scope covers all topics in chemistry, and research at the interface of chemistry and other disciplines (such as materials science, nanoscience, physics, engineering and biology) where there is a significant novelty in the chemistry aspects. Major topic areas covered include: Analytical Chemistry Catalysis Chemical Biology and medicinal chemistry Computational Chemistry and Machine Learning Energy and sustainable chemistry Environmental Chemistry Green Chemistry Inorganic Chemistry Materials Chemistry Nanoscience Organic Chemistry Physical Chemistry Polymer Chemistry Supramolecular Chemistry



![(1R,3S,5R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-azabicyclo[3.1.0]hexane-3-carboxylic acid structure (1R,3S,5R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-azabicyclo[3.1.0]hexane-3-carboxylic acid structure](https://static.chemtradehub.com/structs/197/197142-34-0-6a44.webp)
![5-(2-Phenylpyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine structure 5-(2-Phenylpyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine structure](https://static.chemtradehub.com/structs/865/865362-74-9-0091.webp)