4-Isoxazolecarboxylic acid, 3-Methyl-5-(4-Methylphenyl)-, ethyl

Base Information

• Chemical Name: 4-Isoxazolecarboxylic acid, 3-Methyl-5-(4-Methylphenyl)-, ethyl
• CAS No.: 92248-58-3
• Molecular Formula: C14H15NO3
• Molecular Weight: 245.27
• Mol file: 92248-58-3.mol

Synonyms:4-Isoxazolecarboxylic acid, 3-methyl-5-p-tolyl-, ethyl ester;4-ISOXAZOLECARBOXYLICACID,3-METHYL-5-(4-METHYLPHENYL)-,ETHYLESTER;3-methyl-5-(4-methylphenyl)-4-Isoxazolecarboxylic acid ethyl ester;

Chemical Property of 4-Isoxazolecarboxylic acid, 3-Methyl-5-(4-Methylphenyl)-, ethyl

Chemical Property:

• Boiling Point: 381.4±30.0 °C (760 mmHg)
• PSA: 52.33000
• Density: 1.126±0.06 g/cm3 (20 °C, 760 mmHg)
• LogP: 3.13510

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Isoxazolecarboxylic acid, 3-Methyl-5-(4-Methylphenyl)-, ethyl

There total 2 articles about 4-Isoxazolecarboxylic acid, 3-Methyl-5-(4-Methylphenyl)-, ethyl 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: 86.0%

3-methylisoxazole-4-carboxylic acid ethyl ester (20328-15-8) + 4-tolyl iodide (624-31-7) → ethyl 3-methyl-5-(4-tolyl)isoxazole-4-carboxylate (92248-58-3)

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); o-phenylenebis(diphenylphosphine); silver fluoride; In N,N-dimethyl acetamide; at 100 ℃; for 24h; Schlenk technique; Inert atmosphere; Darkness;

DOI:10.1002/anie.201504552

Reference yield:

2-(4-methyl-benzoyl)-3-oxo-butyric acid ethyl ester (13892-49-4) → ethyl 3-methyl-5-(4-tolyl)isoxazole-4-carboxylate (92248-58-3)

Guidance literature:

With hydroxylamine hydrochloride; In ethanol;

DOI:10.1039/jr9630005838

Reference yield:

ethyl 3-methyl-5-(4-tolyl)isoxazole-4-carboxylate (92248-58-3) → 3-methyl-5-p-tolyl-isoxazole-4-carboxylic acid (91569-57-2)

Guidance literature:

With potassium hydroxide; In ethanol;

DOI:10.1039/jr9630005838

upstream raw materials:

2-(4-methyl-benzoyl)-3-oxo-butyric acid ethyl ester

3-methylisoxazole-4-carboxylic acid ethyl ester

4-tolyl iodide

Downstream raw materials:

3-methyl-5-p-tolyl-isoxazole-4-carboxylic acid

3-methyl-5-p-tolyl-isoxazole-4-carboxylic acid amide