{"id":11891,"date":"2022-12-30T07:43:12","date_gmt":"2022-12-29T23:43:12","guid":{"rendered":"https:\/\/www.pyrazoles-derivatives.com\/?p=11891"},"modified":"2022-12-30T07:43:12","modified_gmt":"2022-12-29T23:43:12","slug":"zhu-shuang-fei-et-al-published-their-research-in-acs-omega-in-2019-cas-5334-39-4","status":"publish","type":"post","link":"https:\/\/www.pyrazoles-derivatives.com\/?p=11891","title":{"rendered":"Zhu, Shuang-fei et al. published their research in ACS Omega in 2019 | CAS: 5334-39-4"},"content":{"rendered":"<p>Multimolecular Complexes of CL-20 with Nitropyrazole Derivatives: Geometric, Electronic Structure, and Stability was written by Zhu, Shuang-fei;Gan, Qiang;Feng, Changgen. And the article was included in ACS Omega in 2019.<a href=\"https:\/\/www.ambeed.com\/products\/5334-39-4.html\">Application In Synthesis of 3-Methyl-4-nitro-1H-pyrazole<\/a> This article mentions the following:<\/p>\n<p>The multimol. complexes formed between 2,4,6,8,10,12-hexanitro-2,4,6,6,8,10,12-hexaazaisowurtzitane (CL-20) and nitropyrazole compounds were investigated using B3LYP-D3\/6-311G(d,p) and B97-3c methods. CL-20 in these complexes was surrounded by Me, nitro, and amino derivatives of 4-nitropyrazole. The influence of substituents on the mol. electrostatic potential distribution of nitropyrazoles was investigated to figure out the potential electrostatic interaction sites. For the complex, the O\u00b7\u00b7\u00b7H hydrogen bond was popular in the intermol. interactions, and dispersion interaction played an essential role, especially in Cx\/CL-20 multimol. complexes. Trigger bond anal. showed that their strength increased upon the formation of intermol. weak interactions. Nitro group charge calculations stated that the neg. charge on almost all nitro groups showed a significant increase. Therefore, the sensitivity of CL-20 seemed to be lower than the original. In addition, the transfer of electron d. between CL-20 and nitropyrzoles in complexes was investigated, revealing the influence of weak interactions on the electron d. of CL-20. In the experiment, the researchers used many compounds, for example, 3-Methyl-4-nitro-1H-pyrazole (cas: 5334-39-4<a href=\"https:\/\/www.ambeed.com\/products\/5334-39-4.html\">Application In Synthesis of 3-Methyl-4-nitro-1H-pyrazole<\/a>).<\/p>\n<p>3-Methyl-4-nitro-1H-pyrazole (cas: 5334-39-4) belongs to pyrazole derivatives. Pyrazole has two ring nitrogen atoms in which N1 is pyrrolic and N2 is pyridine-like. The N1 nitrogen is not reactive but is deprotonated in the presence of a base-forming anion. Pyrazoles are commonly used scaffold molecules in drug discovery projects. The use of pyrazole derivatives is based on their analgesic, anti-inflammatory, antipyretic, antiarrhythmic, sedative, muscle relaxant, neuroleptic, anticonvulsant, monoamine oxidase inhibitory, antidiabetic and antibacterial activities.<a href=\"https:\/\/www.ambeed.com\/products\/5334-39-4.html\">Application In Synthesis of 3-Methyl-4-nitro-1H-pyrazole<\/a><\/p>\n<p>Referemce:<br \/><a href=\"https:\/\/en.wikipedia.org\/wiki\/Pyrazole\">Pyrazole &#8211; Wikipedia<\/a>,<br \/><a href=\"https:\/\/www.sciencedirect.com\/topics\/chemistry\/pyrazoles\">Pyrazoles &#8211; an overview | ScienceDirect Topics<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>3-Methyl-4-nitro-1H-pyrazole (cas: 5334-39-4) belongs to pyrazole derivatives. Pyrazole has two ring nitrogen atoms in which N1 is pyrrolic and N2 is pyridine-like. The N1 nitrogen is not reactive but is deprotonated in the presence of a base-forming anion. Pyrazoles are commonly used scaffold molecules in drug discovery projects. The use of pyrazole derivatives is based on their analgesic, anti-inflammatory, antipyretic, antiarrhythmic, sedative, muscle relaxant, neuroleptic, anticonvulsant, monoamine oxidase inhibitory, antidiabetic and antibacterial activities.<a href=\"https:\/\/www.ambeed.com\/products\/5334-39-4.html\">Application In Synthesis of 3-Methyl-4-nitro-1H-pyrazole<\/a><\/p>\n","protected":false},"author":8,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[131],"tags":[128],"class_list":["post-11891","post","type-post","status-publish","format-standard","hentry","category-pyrazoles-derivatives","tag-100-200"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v24.9 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>Zhu, Shuang-fei et al. published their research in ACS Omega in 2019 | CAS: 5334-39-4 | pyrazoles-derivatives<\/title>\n<meta name=\"description\" content=\"Multimolecular Complexes of CL-20 with Nitropyrazole Derivatives: Geometric, Electronic Structure, and Stability was written by Zhu, Shuang-fei;Gan, Qiang;Feng, Changgen. 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