Ethyl 2,4-dioxo-4-[3-(trifluoromethyl)phenyl]butanoate

Base Information

• Chemical Name: Ethyl 2,4-dioxo-4-[3-(trifluoromethyl)phenyl]butanoate
• CAS No.: 737772-45-1
• Molecular Formula: C₁₃H₁₁F₃O₄
• Molecular Weight: 288.223
• European Community (EC) Number: 827-610-7
• DSSTox Substance ID: DTXSID201224081
• Mol file: 737772-45-1.mol

Synonyms:ethyl 2,4-dioxo-4-[3-(trifluoromethyl)phenyl]butanoate;737772-45-1;Ethyl a,g-dioxo-3-trifluoromethylbenzenebutanoate;SCHEMBL10957817;DTXSID201224081;MFCD11046244;ethyl 3-trifluoromethylbenzoylpyruvate;AKOS000210592;CS-0262301;EN300-82059;Ethyla,g-dioxo-3-trifluoromethylbenzenebutanoate;G22044;Ethyl alpha,gamma-dioxo-3-(trifluoromethyl)benzenebutanoate

Chemical Property of Ethyl 2,4-dioxo-4-[3-(trifluoromethyl)phenyl]butanoate

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 288.06094331
• Heavy Atom Count: 20
• Complexity: 390

Purity/Quality:

99% ^*data from raw suppliers

ETHYL-2,4-DIOXO-4-[3-(TRIFLUOROMETHYL)PHENYL]BUTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(=O)CC(=O)C1=CC(=CC=C1)C(F)(F)F

Technology Process of Ethyl 2,4-dioxo-4-[3-(trifluoromethyl)phenyl]butanoate

There total 2 articles about Ethyl 2,4-dioxo-4-[3-(trifluoromethyl)phenyl]butanoate 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: 12.0%

oxalic acid diethyl ester (95-92-1) + 3'-(trifluoromethyl)acetophenone (349-76-8) → 2,4-dioxo-4-(3-trifluoromethylphenyl)butyric acid ethyl ester (737772-45-1)

Guidance literature:

With sodium hydride; In toluene; at 80 ℃;

DOI:10.1016/j.bmc.2004.03.039

Reference yield:

→ 2,4-dioxo-4-(3-trifluoromethylphenyl)butyric acid ethyl ester (737772-45-1)

Guidance literature:

With sodium ethanolate; In tetrahydrofuran; ethanol; at 20 ℃; for 1h;

Reference yield: 39.0%

2,4-dioxo-4-(3-trifluoromethylphenyl)butyric acid ethyl ester (737772-45-1) → 2,4-dioxo-4-(3-trifluoromethyl-phenyl)-butyric acid

Guidance literature:

With sodium hydroxide; sulfuric acid; In water; at 20 ℃;

DOI:10.1016/j.bmc.2004.03.039

upstream raw materials:

oxalic acid diethyl ester

3'-(trifluoromethyl)acetophenone

Downstream raw materials:

5-(3-trifluoromethylphenyl)isoxazole-3-carboxylic acid ethyl ester

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