ChemicalBook > CAS DataBase List > 5-METHYL-4-NITRO-3-ISOXAZOLECARBOXYLIC ACID

5-METHYL-4-NITRO-3-ISOXAZOLECARBOXYLIC ACID

Product Name: 5-METHYL-4-NITRO-3-ISOXAZOLECARBOXYLIC ACID
CAS No.: 960225-75-6
Chemical Name: 5-METHYL-4-NITRO-3-ISOXAZOLECARBOXYLIC ACID
Synonyms: 5-Methyl-4-nitroisoxazole-3-carboxylic acid;5-METHYL-4-NITRO-3-ISOXAZOLECARBOXYLIC ACID;3-Isoxazolecarboxylic acid, 5-methyl-4-nitro-;5-methyl-4-nitro-1,2-oxazole-3-carboxylic acid;5-Methyl-4-nitro-3-isoxazolecarboxylic acid, 10% in THF under Argon;7-CHLO RO-6-FLUORO-1-(4-FLUORPHENYL)-1 4-DIHYDR O-4-OXO-3-QUINOLINECARBOXYLIC ACID
CBNumber: CB62457633
Molecular Formula: C5H4N2O5
Formula Weight: 172.1
MOL File: 960225-75-6.mol

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5-METHYL-4-NITRO-3-ISOXAZOLECARBOXYLIC ACID Property

Boiling point:: 394.9±42.0 °C(Predicted)
Density: 1.622±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Store in freezer, under -20°C
pka: 1.02±0.35(Predicted)
Appearance: White to light yellow Solid
InChI: InChI=1S/C5H4N2O5/c1-2-4(7(10)11)3(5(8)9)6-12-2/h1H3,(H,8,9)
InChIKey: GIRMISJOXYRPLD-UHFFFAOYSA-N
SMILES: O1C(C)=C([N+]([O-])=O)C(C(O)=O)=N1

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H227Combustible liquid

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P370+P378In case of fire: Use … for extinction.

P403+P235Store in a well-ventilated place. Keep cool.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC

Product number: M341630
Product name: 5-Methyl-4-nitro-3-isoxazolecarboxylicacid
Packaging: 2.5g
Price: $330
Updated: 2021/12/16

AK Scientific

Product number: W9799
Product name: 5-Methyl-4-nitro-3-isoxazolecarboxylicacid
Packaging: 5g
Price: $531
Updated: 2021/12/16

Matrix Scientific

Product number: 073002
Product name: 5-Methyl-4-nitro-3-isoxazolecarboxylic acid
Purity: 95+%
Packaging: 1g
Price: $700
Updated: 2021/12/16

AK Scientific

Product number: W9799
Product name: 5-Methyl-4-nitro-3-isoxazolecarboxylicacid
Packaging: 10g
Price: $771
Updated: 2021/12/16

Matrix Scientific

Product number: 073002
Product name: 5-Methyl-4-nitro-3-isoxazolecarboxylic acid
Purity: 95+%
Packaging: 250mg
Price: $324
Updated: 2021/12/16

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5-METHYL-4-NITRO-3-ISOXAZOLECARBOXYLIC ACID Chemical Properties,Usage,Production

Uses

5-Methyl-4-nitro-3-isoxazolecarboxylic Acid can be used to determine the structure-activity relationships of glutathione peroxidase 4 inhibitor warheads.

Synthesis

3405-77-4

960225-75-6

The general procedure for the synthesis of 5-methyl-4-nitro-3-isoxazolecarboxylic acid from 5-methylisoxazole-3-carboxylic acid was as follows: 5-methylisoxazole-3-carboxylic acid (1.5 g, 12.04 mmol) was slowly added to a mixed solution containing potassium nitrate (1.83 g, 18.06 mmol) and concentrated sulfuric acid (5 mL) at room temperature. After the reactants were completely dissolved, the reaction system was warmed to 50 °C and stirred continuously at this temperature for 4 hours. Upon completion of the reaction, the mixture was cooled to 0 °C and the reaction was subsequently quenched by the addition of an appropriate amount of ice water. The reaction solution was neutralized with sodium bicarbonate solution to neutral. Next, the aqueous phase was extracted using ethyl acetate (3 x 30 mL), the organic phases were combined and dried over anhydrous sodium sulfate. After filtration to remove the desiccant, the organic phase was concentrated under reduced pressure to give 1.45 g of the white solid product 5-methyl-4-nitro-3-isoxazolecarboxylic acid (8.43 mmol, 70% yield). The product can be further purified by recrystallization from dichloromethane.

References

[1] Russian Chemical Bulletin, 2005, vol. 54, # 12, p. 2813 - 2819
[2] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 4, p. 1822 - 1826
[3] Patent: EP3287441, 2018, A1. Location in patent: Paragraph 0329

5-METHYL-4-NITRO-3-ISOXAZOLECARBOXYLIC ACID Preparation Products And Raw materials

Raw materials

Preparation Products

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5-METHYL-4-NITRO-3-ISOXAZOLECARBOXYLIC ACID Suppliers

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960225-75-6, 5-METHYL-4-NITRO-3-ISOXAZOLECARBOXYLIC ACIDRelated Search:

5-METHYL-3H-IMIDAZO[4,5-B]PYRIDINE 5-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde Pyrimidine, 5-methyl-2-(2-pyridinyl)- (9CI) 5-methyl-1,2,3,4-tetrahydroisoquinoline 6-AMINO-5-METHYLNICOTINONITRILE 5-methyl-[1,2,4]triazolo[1,5-a]pyridine (5-METHYLPYRIDIN-3-YL)METHANOL 2-Pyrimidinecarbonitrile, 5-methyl- (9CI) 5-methyl-1H-pyrazole-3-carbaldehyde 5-METHYL-3-(1H)INDAZOLE CARBOXALDEHYDE 3-HYDROXY-5-METHYLPYRIDINE 5-Methyl-2-mercaptobenzothiazole 6-Methylisatoic anhydride ETHYL 5-METHYLISOXAZOLE-3-CARBOXYLATE 5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-AMINE 3,4-Pyridinediamine,5-methyl-(9CI) 5-METHYL-1,3-DIHYDRO-BENZIMIDAZOL-2-ONE 5-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

5-METHYL-4-NITRO-3-ISOXAZOLECARBOXYLIC ACID

5-Methyl-4-nitroisoxazole-3-carboxylic acid

5-methyl-4-nitro-1,2-oxazole-3-carboxylic acid

7-CHLO RO-6-FLUORO-1-(4-FLUORPHENYL)-1 4-DIHYDR O-4-OXO-3-QUINOLINECARBOXYLIC ACID

3-Isoxazolecarboxylic acid, 5-methyl-4-nitro-

5-Methyl-4-nitro-3-isoxazolecarboxylic acid, 10% in THF under Argon

960225-75-6

C5H4N2O5