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

More

Less

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

More

Less

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..…

More

Less

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

More

Less

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

More

Less

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

China 37 India 1 United States 6 Global 44

Pure Chemistry Scientific Inc.

Tel: 001-857-928-2050 or 1-888-588-9418
Fax: 001-617-206-9595
Email: sales@chemreagents.com
Country: United States
ProdList: 10186
Advantage: 62

Shanghai Sunway Pharmaceutical Technology Co., Ltd

Tel: 18270980682
Fax: 021 51613951
Email: mlcheng@sunwaypharm.cn
Country: China
ProdList: 8669
Advantage: 57

Shanghai Jian Chao Chemical Technology Co., Ltd.

Tel: 150-2103-5486 18017383231
Fax: qq：2817624287
Email: 983544897@qq.com
Country: China
ProdList: 9342
Advantage: 55

9ding chemical ( Shanghai) Limited

Tel: 4009209199
Fax: 86-021-52271987
Email: sales@9dingchem.com
Country: China
ProdList: 18209
Advantage: 56

Bide Pharmatech Ltd.

Tel: 400-164-7117 13681763483
Fax: +86-21-61629029
Email: product02@bidepharm.com
Country: China
ProdList: 39966
Advantage: 60

Yancheng Schiemann Biological Technology Co.,Ltd

Tel: 515-88280676 18921872653
Email: sales@ximanbio.com
Country: China
ProdList: 1524
Advantage: 56

Shanghai YuanYe Biotechnology Co., Ltd.

Tel: 021-61312847; 18021002903
Fax: QQ:3008007432
Email: 3008007409@qq.com
Country: China
ProdList: 71826
Advantage: 60

Tianjin Kailiqi Biotechnology Co., Ltd.

Tel: 15076683720
Fax: 022-23754520
Email: klq@cw-bio.com
Country: China
ProdList: 8011
Advantage: 55

Amadis Chemical Company Limited

Tel: 571-89925085
Fax: 0086-571-89925065
Email: sales@amadischem.com
Country: China
ProdList: 131957
Advantage: 58

Hangzhou Molcore Biopharmatech Co.,Ltd

Tel: 400-711-5280 86-571-81025280
Fax: 86-571-85806285
Email: sales@molcore.com
Country: China
ProdList: 9967
Advantage: 58

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