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4-Nitro-1-phenylpyrazole is an organic compound with the chemical formula C9H7N3O2. It is a derivative of pyrazole, a five-membered heterocyclic ring containing three nitrogen atoms, and is characterized by the presence of a nitro group (-NO2) at the 4-position and a phenyl group (C6H5) at the 1-position. This yellow crystalline solid is used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds. Due to its reactivity and potential applications, 4-nitro-1-phenylpyrazole is of interest in the fields of organic chemistry and chemical engineering.

3994-48-7

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3994-48-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 3994-48-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,9,9 and 4 respectively; the second part has 2 digits, 4 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 3994-48:
(6*3)+(5*9)+(4*9)+(3*4)+(2*4)+(1*8)=127
127 % 10 = 7
So 3994-48-7 is a valid CAS Registry Number.

3994-48-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-nitro-1-phenylyrazole

1.2 Other means of identification

Product number -
Other names 1-phenyl-4-nitropyrazole

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:3994-48-7 SDS

3994-48-7Relevant academic research and scientific papers

Reactions of some arenes and pyrazoles in MeCN under conditions of undivided-cell electrolysis

Chauzov,Parchinsky,Sinelshchikova,Petrosyan

, p. 1274 - 1279 (2001)

As exemplified for the first time by pyrazole and its 4-nitro and 3,5-dimcthyl derivatives, N-arylation of pyrazoles can be performed under conditions of undivided-cell amperostatic electrolysis (Pt electrodes, McCN) of systems containing the pyrazolate anion and (or) pyrazole, arene (benzene, 1,4-dimethoxybenzene, or xylene), and a supporting electrolyte. In the case of electrolysis involving 1,4-dimethoxybenzene as arene, N-arylation followed simultaneously three routes to form an ortho-substitution product (1,4-dimethoxy-2-(pyrazol-1-yl)benzene), an ipso-substitution product (4-methoxy-1-(pyrazol-1-yl)benzene), and an ipso-bisaddition product (1,4-dimethoxy-1,4-di(pyrazol-1-yl)cyclohexa-2,5-diene) in a total current yield of up to 50%. The acid-base properties of the pyrazolcs under study affect the ratio of the N-arylation products and govern the required composition of the starting reaction mixture. In the case of a stronger base, such as 3,5-dimethylpyrazole, N-arylation with 1,4-dimethoxybenzene occurred even in the pyrazole-arene-tetraalkylammonium perchlorate system, whereas N-arylation of 4-nitropyrazole (a weaker base) proceeded only in the presence of the pyrazolate anion or another base, viz., sym-collidine. Oxidation of arene to the radical cation is the key anodic reaction. Not only the pyrazolate anion, but also highly basic pyrazole or a solvate complex of weakly basic pyrazole with collidine can serve as a nucleophilic partner in subsequent transformations of these radical cations.

Facile Synthesis of Functionalized Nitroenamines. III.1,2 Aminolysis of 1-Methyl-5-nitropyrimidin-2(1H)-one

Nishiwaki, Nagatoshi,Tohda, Yasuo,Ariga, Masahiro

, p. 1997 - 2002 (1996)

The aminolysis of 1-methyl-5-nitropyrimidin-2(1H)-one furnished diimines of nitromalonaldehyde in good yields. One of the imino groups of the diimines was readily hydrolyzed on silica gel to give nitroenamines possessing a formyl group. These reagents beh

Design and synthesis of anti-tumor compounds containing ferulic acid-pyrazole skeleton

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Paragraph 0024-0025; 0027-0028; 0031-0032; 0034, (2021/04/28)

The invention discloses design and a preparation method of an anti-tumor compound containing a ferulic acid-pyrazole skeleton. The structure of the anti-tumor compound is shown as a formula in the specification.

HSP90 INHIBITORS AND USES THEREOF

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Paragraph 00492-00493; 00494-00495, (2020/11/23)

Herein is described the design and synthesis of resorcylate aminopyrazole compounds. These compounds show broad, potent and fungal-selective Hsp90 inhibitory activity. These compounds also find use in treating Hsp90 related deseases.

Design of potent B-RafV600E inhibitors by multiple copy simulation search strategy

Wang, Ze-Feng,Wang, Peng-Fei,Ma, Jun-Ting,Chai, Ying-Zi,Hu, Hui-Min,Gao, Wen-Long,Wang, Zhong-Chang,Wang, Bao-Zhong,Zhu, Hai-Liang

, p. 567 - 574 (2017/12/26)

B-Raf kinase is a vital intermedium in the mitogen-activated protein kinase (MAPK) signaling pathway, which transforms extracellular signals into cellular mechanisms. Mutations in this kinase, for instance, the most common V600E mutation, can lead to the ERK signaling pathologically activated and hence cause severe diseases such as somatic tumors. So far, the development of B-Raf inhibitors has made remarkable progress. However, the resistance and relapse of approved Raf drugs have been widely reported, and the optimization for old drugs and the discovery for new inhibitors still remain a significant task. In this study, we designed and evaluated a series of novel B-RafV600E inhibitors. A fragment library has been established before the docking simulation carried out using the MCSS strategy (multicopy simulation search). The appropriate fragments were reassembled to provide new candidate compounds, which were further screened by iterative docking simulations and molecular dynamics. Bioassays were carried out to evaluate the pharmacological profile of the compounds identified and synthesized. The result showed that compound 5n had an impressive enzyme inhibitory and antiproliferation activity, suggesting a promising potential in the future study.

Design, synthesis, and biological evaluation of pyrazole derivatives containing acetamide bond as potential BRAFV600E inhibitors

Wang, Chen-Ru,Wang, Ze-Feng,Shi, Lu,Wang, Zhong-Chang,Zhu, Hai-Liang

supporting information, p. 2382 - 2390 (2018/06/25)

With the increasingly acquired resistance, relapse and side effects of known marketed BRAFV600E inhibitors, it's significant to design the more effective and novel drugs. In this study, a series of novel pyrazole derivatives containing acetamid

Identification and Biological Evaluation of Novel Type II B-RafV600E Inhibitors

Wang, Peng-Fei,Wang, Ze-Feng,Qiu, Han-Yue,Huang, Yue,Hu, Hui-Min,Wang, Zhong-Chang,Zhu, Hai-Liang

, p. 2558 - 2566 (2018/11/23)

The mitogen-activated protein kinase (MAPK) pathway plays a vital role in signal transduction networks. Severe diseases may be triggered if it is disturbed by mutated components, especially the kinase B-RafV600E. New inhibitors of the kinase ar

Design and synthesis of diphenyl urea derivative anti-tumor compounds containing pyrazol frameworks

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Paragraph 0029, (2017/09/18)

The invention discloses diphenyl urea derivatives containing pyrazol frameworks and a prepration method thereof. The structural formula of the diphenyl urea derivatives containing pyrazol frameworks is as shown in the specification, wherein R1 is selected

PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS

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Paragraph 2156; 2157, (2016/08/03)

The invention relates to inhibitors of USP7 inhibitors useful in the treatment of cancers, neurodegenerative diseases, immunological disorders, inflammatory disorders, cardiovascular diseases, ischemic diseases, viral infections and diseases, and bacterial infections and diseases, having the Formula: where m, n, X1, X2, R1-R5, R5′ and R6 are described herein.

MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS

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Page/Page column 474, (2015/09/23)

The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, wherein all the variables are as defined herein. These compounds are selective factor XIa inhibitors or dual inhibitors of

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