Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl

Base Information

• Chemical Name: Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl
• CAS No.: 15154-19-5
• Molecular Formula: C₁₀H₈N₂O₅
• Molecular Weight: 236.184
• DSSTox Substance ID: DTXSID90164802
• Wikidata: Q83033884
• Mol file: 15154-19-5.mol

Synonyms:BRN 0618013;15154-19-5;KETONE, METHYL 5-METHYL-3-(5-NITRO-2-FURYL)-4-ISOXAZOLYL;Methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl ketone;DTXSID90164802;LS-87287;4-Acetyl-5-methyl-3-(5-nitro-2-furyl)isoxazole;1-[5-methyl-3-(5-nitro-2-furyl)isoxazol-4-yl]ethanone

Chemical Property of Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl

Chemical Property:

• Vapor Pressure: 5.57E-07mmHg at 25°C
• Refractive Index: 1.5910 (estimate)
• Boiling Point: 411.5°Cat760mmHg
• Flash Point: 202.7°C
• PSA: 102.06000
• Density: 1.363g/cm³
• LogP: 2.87700
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 236.04332136
• Heavy Atom Count: 17
• Complexity: 329

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C2=CC=C(O2)[N+](=O)[O-])C(=O)C

Technology Process of Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl

There total 2 articles about Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl 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:

N-hydroxy-5-nitrofuran-2-carbimidoyl chloride (22296-92-0) + acetylacetone (123-54-6,81235-32-7) → 1-[5-methyl-3-(5-nitro-furan-2-yl)-isoxazol-4-yl]-ethanone (15154-19-5)

Guidance literature:

In ethanol; at 0 ℃; for 12h;

Reference yield:

→ 1-[5-methyl-3-(5-nitro-furan-2-yl)-isoxazol-4-yl]-ethanone (15154-19-5)

Guidance literature:

5-Nitro-2-furhydroxamoylchlorid, Na, Acetylaceton;

Reference yield:

1-[5-methyl-3-(5-nitro-furan-2-yl)-isoxazol-4-yl]-ethanone (15154-19-5) → 4-{1-ethoxy-2-[5-methyl-3-(5-nitro-furan-2-yl)-isoxazol-4-yl]-2-oxo-ethylamino}-benzoic acid (15154-26-4)

Guidance literature:

Multi-step reaction with 2 steps

1: SeO₂ / dioxane; H₂O / 10 h / Heating

2: Ambient temperature

With selenium(IV) oxide; In 1,4-dioxane; water;

upstream raw materials:

N-hydroxy-5-nitrofuran-2-carbimidoyl chloride

acetylacetone

Downstream raw materials:

4-{1-ethoxy-2-[5-methyl-3-(5-nitro-furan-2-yl)-isoxazol-4-yl]-2-oxo-ethylamino}-benzoic acid

Refernces