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Isoxazole, 4-nitro-, also known as 4-Nitroisoxazole, is a chemical compound with the molecular formula C3H2N2O3. It is a nitro-substituted derivative of isoxazole, a five-membered heterocyclic compound containing an oxygen and nitrogen atom in the ring. 4-Nitroisoxazole is characterized by the presence of a nitro group at the 4-position of the isoxazole ring, which imparts unique chemical and biological properties to the molecule.

1121-13-7

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1121-13-7 Usage

Uses

Used in Organic Synthesis:
Isoxazole, 4-nitrois used as a building block in organic synthesis for the creation of various bioactive compounds. Its unique structure and reactivity make it a valuable component in the synthesis of complex organic molecules.
Used in Pharmaceutical Research:
Isoxazole, 4-nitroserves as a precursor for the synthesis of potential pharmaceuticals and agrochemicals. Its versatile chemical properties allow for the development of new drugs with diverse therapeutic applications.
Used in Antimicrobial Applications:
Isoxazole, 4-nitrois known for its antimicrobial properties, making it a potential candidate for the development of new antibiotics to combat resistant bacterial strains.
Used in Antifungal Applications:
Isoxazole, 4-nitroexhibits antifungal properties, which can be utilized in the development of antifungal agents to treat various fungal infections.
Used in Anticancer Research:
Derivatives of isoxazole, 4-nitrohave been studied for their potential use as anticancer agents. Their unique chemical structures may offer new avenues for the development of targeted cancer therapies.
Used in Antiviral Research:
Isoxazole, 4-nitroand its derivatives are being investigated for their potential antiviral properties, which could lead to the development of new treatments for viral infections.

Check Digit Verification of cas no

The CAS Registry Mumber 1121-13-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,1,2 and 1 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1121-13:
(6*1)+(5*1)+(4*2)+(3*1)+(2*1)+(1*3)=27
27 % 10 = 7
So 1121-13-7 is a valid CAS Registry Number.
InChI:InChI=1/C3H2N2O3/c6-5(7)3-1-4-8-2-3/h1-2H

1121-13-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Nitroisoxazole

1.2 Other means of identification

Product number -
Other names 4-nitro-1,2-oxazole

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:1121-13-7 SDS

1121-13-7Relevant academic research and scientific papers

New synthetic equivalent of nitromalonaldehyde treatable in organic media

Nishiwaki, Nagatoshi,Ogihara, Takuma,Takami, Toshiko,Tamura, Mina,Ariga, Masahiro

, p. 8382 - 8386 (2004)

β-Nitroenamines having a formyl group at the β-position behave as the synthetic equivalent of unstable nitromalonaldehyde, which is a useful synthon for syntheses of versatile nitro compounds. High solubility of the nitroenamines into general organic solv

Method for synthesizing mild 4-aminoisoxazole hydrochloride

-

Paragraph 0005; 0018-0023, (2021/03/10)

The invention discloses a mild synthesis method of 4-aminoisoxazole hydrochloride, which comprises the following steps: 1) dissolving isoxazole in a mixed solvent of acetic acid and acetic anhydride,adding ammonium nitrate in batches while controlling the temperature, 2) after the reaction is finished, pouring into ice water, extracting by using ethyl acetate, combining organic phases, and concentrating to obtain 4nitro isoxazole, and 3) adding ethanol, concentrated hydrochloric acid and 5% palladium on carbon into the 4-nitroisoxazole, heating and pressurizing to react completely, cooling to0-10 DEG C, filtering, and washing with ice ethanol to obtain the 4-aminoisoxazole hydrochloride. According to the method, the nitration reaction is carried out under mild conditions, the risk is small, the method is suitable for industrial production, and the yield is greatly increased.

On the intrinsic reactivity of highly potent trypanocidal cruzain inhibitors

Batista, Pedro Henrique Jatai,Bonatto, Vinicius,Cedron, Rodrigo,Cianni, Lorenzo,De Vita, Daniela,Franco, Caio Haddad,Montanari, Carlos A.,Moraes, Carolina Borsoi,Silva, Daniel G.,Tezuka, Daiane Y.,De Albuquerque, Sérgio,Lameira, Jer?nimo,Leit?o, Andrei

supporting information, p. 1275 - 1284 (2020/12/01)

The cysteine protease cruzipain is considered to be a validated target for therapeutic intervention in the treatment of Chagas disease. Hence, peptidomimetic cruzipain inhibitors having a reactive group (known as warhead) are subject to continuous studies

NOVEL COMPOUNDS

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Page/Page column 76, (2011/04/25)

The present invention discloses novel compounds inhibiting LRRK2 kinase activity, the preparation processes thereof, the compositions containing them, as well as the use in treating diseases characterized by LRRK2 kinase activity, particularly Parkinson's disease and Alzheimer's disease.

SUBSTITUTED PYRIDAZINE CARBOXAMIDE COMPOUNDS AS KINASE INHIBITOR COMPOUNDS

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Page/Page column 37-38, (2010/01/12)

Pyridazine derivatives have unexpected drug properties as inhibitors of protein kinases and are useful in treating disorders related to abnormal protein kinase activities such as cancer.

65. Herstellung von substituierten 2-Aminooxazol-4-carbonitrilen.

Pascual, Alfons

, p. 556 - 569 (2007/10/02)

During our synthetic programme to convert 4-isoxazolylthioureas 3 into the corresponding carbodiimides 5, a side reaction leading to the hitherto unknown 2-aminooxazole-4-carbonitriles 6 was observed.By selecting appropriate reaction conditions, it was po

Synthesis of 4(5)-Acyl-, 1-Substituted 5-Acyl, and 1-Substituted 4-Acyl-1H-imidazoles from 4-Aminoisoxazoles

Reiter, Lawrence A.

, p. 2714 - 2726 (2007/10/02)

4-Aminoisoxazoles can be acylated with a wide variety of activated carboxylic acids.Hydrogenation of the resulting amides gives α-(acylamino)enaminones, which cyclize to 4(5)-acylimidazoles upon treatment with base.This method allows for the synthesis of acylimidazoles with a wide range of substituents at C-2.Utilization of N-substituted 4-aminoisoxazoles in the same sequence of reactions yields 1-substituted 5-acylimidazoles, a substitution pattern not otherwise easily prepared.Treatment of α-(acylamino)enaminones, derived from N-unsubstituted isoxazoles, with primary amines leads to incorporation of the amine at the β-position with concomitant expulsion of ammonia.This sequence efficiently yields 1-substituted and 1,2-disubstituted 4-acylimidazoles but does not give satisfactory yields of 5-substituted 4-acylimidazoles due to steric inhibition of the amine exchange.

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