4-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-5-Methyl-, Methyl

Base Information

• Chemical Name: 4-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-5-Methyl-, Methyl
• CAS No.: 68870-58-6
• Molecular Formula: C12H10ClNO3
• Molecular Weight: 251.669
• Hs Code.: 2934999090
• Mol file: 68870-58-6.mol

Synonyms:5-Methyl-4-aethoxycarbonyl-3-(4-chlor-phenyl)-isoxazol;(3-(4-chlorophenyl)-5-methyl)isoxazole-4-carboxylic acid ethyl ester;5-Methyl-4-methoxycarbonyl-3-(4-chlor-phenyl)-isoxazol;ethyl 3-(4-chlorophenyl)-5-methylisoxazole-4-carboxylate;3-(4-chloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid methyl ester;methyl 3-(p-chlorophenyl)-5-methylisoxazole-4-carboxylate;3-(4-Chlor-phenyl)-5-methyl-isoxazol-4-carbonsaeure-aethylester;

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

Chemical Property:

• PSA: 52.33000
• LogP: 3.09000

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-(4-chlorophenyl)-5-Methyl-, Methyl

There total 8 articles about 4-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-5-Methyl-, Methyl 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%

methyl 3-(isopropylamino)but-2-enoate (73967-70-1) + 4-chlorobenzohydroximoyl chloride (28123-63-9) → methyl 3-(p-chlorophenyl)-5-methylisoxazole-4-carboxylate (68870-58-6)

Guidance literature:

In neat (no solvent); at 20 ℃; for 0.333333h; regioselective reaction; Milling; Green chemistry;

DOI:10.1016/j.tet.2018.09.044

Reference yield: 83.0%

C9H17NO2 (36244-62-9) + 4-chlorobenzohydroximoyl chloride (28123-63-9) → methyl 3-(p-chlorophenyl)-5-methylisoxazole-4-carboxylate (68870-58-6)

Guidance literature:

In neat (no solvent); at 20 ℃; for 0.333333h; regioselective reaction; Milling; Green chemistry;

DOI:10.1016/j.tet.2018.09.044

Reference yield: 81.0%

4-chlorobenzohydroximoyl chloride (28123-63-9) + 3-methylaminobut-2-enoic acid methyl ester (13412-12-9,21759-68-2,21759-69-3) → methyl 3-(p-chlorophenyl)-5-methylisoxazole-4-carboxylate (68870-58-6)

Guidance literature:

In neat (no solvent); at 20 ℃; for 0.333333h; Time; regioselective reaction; Milling; Green chemistry;

DOI:10.1016/j.tet.2018.09.044

upstream raw materials:

methyl buta-2,3-dienoate

4-chlorobenzohydroximoyl chloride

acetoacetic acid methyl ester

methyl acetoacetate, monosodium salt

Downstream raw materials:

3-(4-chloro-phenyl)-5-methyl-isoxazole-4-carbonyl chloride

3-(4-chloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid amide

6β-[3-(4-chloro-phenyl)-5-methyl-isoxazole-4-carbonylamino]-penicillanic acid

(E)-3-(p-chlorophenyl)-5-<2-(p-chlorophenyl)vinyl>isothiazole

Refernces

• 1、 Roy, Amrendra K.,Batra, Sanjay. "Highly substituted isoxazoles: The Baylis-Hillman reaction of substituted 4-isoxazolecarbaldehydes and attempted cyclization to isoxazole-annulated derivatives". . p. 1347 - 1356. Retrieved 2007/10/03.