diethyl 2-acetyl-4-(5-phenyl-3-isoxazolyl)-3-<2-(trifluoromethyl)phenyl>pentanedioate

Base Information

• Chemical Name: diethyl 2-acetyl-4-(5-phenyl-3-isoxazolyl)-3-<2-(trifluoromethyl)phenyl>pentanedioate
• CAS No.: 114957-76-5
• Molecular Formula: C₂₇H₂₆F₃NO₆
• Molecular Weight: 517.502
• Mol file: 114957-76-5.mol

Synonyms:diethyl 2-acetyl-4-(5-phenyl-3-isoxazolyl)-3-<2-(trifluoromethyl)phenyl>pentanedioate

Chemical Property of diethyl 2-acetyl-4-(5-phenyl-3-isoxazolyl)-3-<2-(trifluoromethyl)phenyl>pentanedioate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of diethyl 2-acetyl-4-(5-phenyl-3-isoxazolyl)-3-<2-(trifluoromethyl)phenyl>pentanedioate

There total 4 articles about diethyl 2-acetyl-4-(5-phenyl-3-isoxazolyl)-3-<2-(trifluoromethyl)phenyl>pentanedioate 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: 61.0%

2-[[2-(trifluoromethyl)phenyl]methylene]-3-oxobutanoic acid,ethyl ester (114957-75-4) + ethyl 5-phenyl-3-isoxazoleacetate (3929-70-2) → diethyl 2-acetyl-4-(5-phenyl-3-isoxazolyl)-3-<2-(trifluoromethyl)phenyl>pentanedioate (114957-76-5)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃;

DOI:10.1021/jm00403a030

Reference yield:

ethyl 3-nitropropanoate (3590-37-2) → diethyl 2-acetyl-4-(5-phenyl-3-isoxazolyl)-3-<2-(trifluoromethyl)phenyl>pentanedioate (114957-76-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 5.1 percent / triethylamine, phosphorous oxychloride / CHCl₃ / Heating

2: 61 percent / lithium diisopropylamide / tetrahydrofuran / -78 °C

With triethylamine; lithium diisopropyl amide; trichlorophosphate; In tetrahydrofuran; chloroform;

DOI:10.1021/jm00403a030

Reference yield:

α-benzoylacetoacetic acid ethyl ester (86969-12-2) → diethyl 2-acetyl-4-(5-phenyl-3-isoxazolyl)-3-<2-(trifluoromethyl)phenyl>pentanedioate (114957-76-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 6.9 g / hydroxylamine hydrochloride / pyridine / 1.) room temperature, 20 min, 2.) reflux, 1 h

2: 61 percent / lithium diisopropylamide / tetrahydrofuran / -78 °C

With hydroxylamine hydrochloride; lithium diisopropyl amide; In tetrahydrofuran; pyridine;

DOI:10.1021/jm00403a030

upstream raw materials:

2-[[2-(trifluoromethyl)phenyl]methylene]-3-oxobutanoic acid,ethyl ester

ethyl 5-phenyl-3-isoxazoleacetate

ethyl 3-nitropropanoate

α-benzoylacetoacetic acid ethyl ester

Downstream raw materials:

(2Z,3α,4β)-(+/-)-diethyl 1,2,3,4-tetrahydro-6-methyl-2-(2-oxo-2-phenylethylidene)-4-<2-(trifluoromethyl)phenyl>-3,5-pyridinedicarboxylate