5-Isoxazolecarboxylic acid, 3-acetyl-4,5-dihydro-, methyl ester (9CI)

Base Information

• Chemical Name: 5-Isoxazolecarboxylic acid, 3-acetyl-4,5-dihydro-, methyl ester (9CI)
• CAS No.: 94447-70-8
• Molecular Formula: C₇H₉NO₄
• Molecular Weight: 171.153
• Mol file: 94447-70-8.mol

Synonyms:5-Isoxazolecarboxylic acid, 3-acetyl-4,5-dihydro-, methyl ester (9CI)

Chemical Property of 5-Isoxazolecarboxylic acid, 3-acetyl-4,5-dihydro-, methyl ester (9CI)

Chemical Property:

• PSA: 64.96000
• LogP: -0.67110

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

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Technology Process of 5-Isoxazolecarboxylic acid, 3-acetyl-4,5-dihydro-, methyl ester (9CI)

There total 3 articles about 5-Isoxazolecarboxylic acid, 3-acetyl-4,5-dihydro-, methyl ester (9CI) 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: 97.0%

pyruvohydroximoyl chloride (5471-68-1) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl 3-acetyl-4,5-dihydroisoxazole-5-carboxylate (94447-70-8)

Guidance literature:

With sodium fluoride; In dichloromethane; for 120h; Ambient temperature;

Reference yield: 73.0%

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + acetone (67-64-1) → methyl 3-acetyl-4,5-dihydroisoxazole-5-carboxylate (94447-70-8)

Guidance literature:

With tert.-butylnitrite; at 80 ℃; for 4h; Schlenk technique;

DOI:10.1021/acs.orglett.9b01683

Reference yield: 29.0%

2-oxo-propionitrile N-oxide (51983-63-2) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl 3-acetyl-4,5-dihydroisoxazole-5-carboxylate (94447-70-8)

Guidance literature:

In chloroform-d1; Ambient temperature;

DOI:10.1016/S0040-4039(97)00275-X

upstream raw materials:

pyruvohydroximoyl chloride

acrylic acid methyl ester

2-oxo-propionitrile N-oxide

acetone

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