4-Isoxazolecarboxylicacid,3-methyl-5-p-tolyl-(7CI)

Base Information

• Chemical Name: 4-Isoxazolecarboxylicacid,3-methyl-5-p-tolyl-(7CI)
• CAS No.: 91569-57-2
• Molecular Formula: C12H11 N O3
• Molecular Weight: 217.22
• Hs Code.: 2934999090
• Mol file: 91569-57-2.mol

Synonyms:4-Isoxazolecarboxylicacid, 3-methyl-5-p-tolyl- (7CI)

Chemical Property of 4-Isoxazolecarboxylicacid,3-methyl-5-p-tolyl-(7CI)

Chemical Property:

• PSA: 63.33000
• LogP: 2.65660

Purity/Quality:

99%min ^*data from raw suppliers

3-Methyl-5-p-tolyl-isoxazole-4-carboxylicacid 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Isoxazolecarboxylicacid,3-methyl-5-p-tolyl-(7CI)

There total 2 articles about 4-Isoxazolecarboxylicacid,3-methyl-5-p-tolyl-(7CI) 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:

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

Reference yield:

2-(4-methyl-benzoyl)-3-oxo-butyric acid ethyl ester (13892-49-4) → 3-methyl-5-p-tolyl-isoxazole-4-carboxylic acid (91569-57-2)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₂OH*HCl / ethanol

2: aq. KOH / ethanol

With potassium hydroxide; hydroxylamine hydrochloride; In ethanol;

DOI:10.1039/jr9630005838

Reference yield: 77.0%

(E)-methyl 5-aminopent-2-enoate trifluoroacetic acid salt + 3-methyl-5-p-tolyl-isoxazole-4-carboxylic acid (91569-57-2) → (E)-methyl 5-(3-methyl-5-(p-tolyl)isoxazole-4-carboxamido)pent-2-enoate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; Sealed tube;

DOI:10.1021/jacs.8b13193

upstream raw materials:

ethyl 3-methyl-5-(4-tolyl)isoxazole-4-carboxylate

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

Downstream raw materials:

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