4-Benzoyl-5-methyl-3-isoxazolecarboxylic acid ethyl ester

Base Information

• Chemical Name: 4-Benzoyl-5-methyl-3-isoxazolecarboxylic acid ethyl ester
• CAS No.: 17335-06-7
• Molecular Formula: C14H13 N O4
• Molecular Weight: 259.262
• Hs Code.: 2934999090
• Mol file: 17335-06-7.mol

Synonyms:4-Benzoyl-5-methyl-isoxazol-3-carbonsaeure-aethylester;4-Benzoyl-5-methyl-isoxazol-carbonsaeure-ethylester;4-Benzoyl-5-methyl-3-isoxazolecarboxylic acid ethyl ester;3-ISOXAZOLECARBOXYLIC ACID,4-BENZOYL-5-METHYL-,ETHYL ESTER;ethyl 4-benzoyl-5-methylisoxazole-3-carboxylate;4-Benzoyl-5-methyl-isoxazol-3-carbonsaeure-ethylester;4-benzoyl-5-methyl-isoxazole-3-carboxylic acid ethyl ester;

Chemical Property of 4-Benzoyl-5-methyl-3-isoxazolecarboxylic acid ethyl ester

Chemical Property:

• Vapor Pressure: 9.14E-06mmHg at 25°C
• Boiling Point: 373.2°Cat760mmHg
• Flash Point: 179.5°C
• PSA: 69.40000
• Density: 1.21g/cm³
• LogP: 2.39070

Purity/Quality:

99%min ^*data from raw suppliers

Ethyl4-Benzoyl-5-methylisoxazole-3-carboxylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Benzoyl-5-methyl-3-isoxazolecarboxylic acid ethyl ester

There total 6 articles about 4-Benzoyl-5-methyl-3-isoxazolecarboxylic acid ethyl ester 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: 87.1%

ethyl chlorooximidoacetate (95080-93-6) + 1-phenylbutan-1,3-dione (93-91-4) → ethyl 4-benzoyl-5-methylisoxazole-3-carboxylate (17335-06-7)

Guidance literature:

With sodium methylate; In methanol; at 0 - 25 ℃; for 3h; Product distribution / selectivity;

Reference yield: 65.0%

nitroacetic acid ethyl ester (626-35-7) + 1-phenylbutan-1,3-dione (93-91-4) → ethyl 4-benzoyl-5-methylisoxazole-3-carboxylate (17335-06-7)

Guidance literature:

With N-methylcyclohexylamine; copper diacetate; In chloroform; at 60 ℃; for 72h; regioselective reaction;

DOI:10.1002/ejoc.200900802

Reference yield:

1-phenylbutan-1,3-dione (93-91-4) + chlorohydroxyimino-acetic acid ethyl ester (861135-87-7) → ethyl 4-benzoyl-5-methylisoxazole-3-carboxylate (17335-06-7)

Guidance literature:

With sodium ethanolate; In ethanol;

DOI:10.1021/jm021057u

upstream raw materials:

ethyl chlorooximidoacetate

1-phenyl-2-butyn-1-one

1-phenylbutan-1,3-dione

chlorohydroxyimino-acetic acid ethyl ester

Downstream raw materials:

4-benzoyl-5-styryl-isoxazole-3-carboxylic acid

5-methyl-4-(phenyl-phenylhydrazono-methyl)-isoxazole-3-carboxylic acid ethyl ester

6-Cyclohexyl-3-methyl-4-phenyl-6H-isoxazolo[3,4-d]pyridazin-7-one

5-acetyl-4-aminopyridazinone

Refernces

• 1、 -. "NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO[3,4-D]PYRIDAZIN-7(6H)-ONE". Page/Page column 6;7. . Retrieved 2008/12/07.