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

Base Information

• Chemical Name: 5-METHYL-4-NITRO-3-ISOXAZOLECARBOXYLIC ACID
• CAS No.: 960225-75-6
• Molecular Formula: C₅H₄N₂O₅
• Molecular Weight: 172.097
• Mol file: 960225-75-6.mol

Synonyms:

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 394.9±42.0 °C(Predicted)
• PKA: 1.02±0.35(Predicted)
• Density: 1.622±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C

Purity/Quality:

97% ^*data from raw suppliers

5-Methyl-4-nitro-3-isoxazolecarboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-METHYL-4-NITRO-3-ISOXAZOLECARBOXYLIC ACID

There total 1 articles about 5-METHYL-4-NITRO-3-ISOXAZOLECARBOXYLIC ACID which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 79.0%

5-methylisoxazole 3-carboxylic acid (3405-77-4) → 5-methyl-4-nitro-1,2-oxazole-3-carboxylic acid (960225-75-6)

Guidance literature:

With sodium nitrate; sulfuric acid; at 50 ℃; for 8h;

DOI:10.1007/s11172-006-0195-1

Reference yield:

5-methyl-4-nitro-1,2-oxazole-3-carboxylic acid (960225-75-6) → methyl (1S,3R)-1-[4-(methoxycarbonyl)phenyl]-2-(5-methyl-4-nitro-1,2-oxazole-3-carbonyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 0.25 h / 20 °C

2: triethylamine / dichloromethane / 0 - 20 °C

With oxalyl dichloride; triethylamine; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2020.127538

Reference yield:

5-methyl-4-nitro-1,2-oxazole-3-carboxylic acid (960225-75-6) → methyl (1R,3R)-1-[4-(methoxycarbonyl)phenyl]-2-(5-methyl-4-nitro-1,2-oxazole-3-carbonyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 0.25 h / 20 °C

2: triethylamine / dichloromethane / 0 - 20 °C

With oxalyl dichloride; triethylamine; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2020.127538

upstream raw materials:

5-methylisoxazole 3-carboxylic acid

Downstream raw materials:

5-methyl-4-nitro-isoxazole-3-carboxylic acid (3,4-dimethoxy-phenyl)-amide

C₂₂H₂₂N₄O₄

C₂₂H₂₀F₂N₄O₄

C₂₄H₂₆N₄O₆