Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate

Base Information

• Chemical Name: Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate
• CAS No.: 58101-23-8
• Molecular Formula: C11H10F2O3
• Molecular Weight: 228.195
• Hs Code.: 2916399090
• European Community (EC) Number: 641-186-9
• DSSTox Substance ID: DTXSID30374281
• Nikkaji Number: J3.187.880B
• Wikidata: Q82162809
• Mol file: 58101-23-8.mol

Synonyms:ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate;58101-23-8;ethyl 2,4-difluorobenzoylacetate;ethyl 3-(2,4-difluorophenyl)-3-oxopropionate;MFCD03424828;SCHEMBL2080446;3-(2,4-Difluorophenyl)-3-oxo-propionic acid ethyl ester;DTXSID30374281;UFAHWLKYHPRYSY-UHFFFAOYSA-N;Ethyl (2,4-difluorobenzoyl)acetate;AKOS009259506;AC-7780;AS-31471;SY058427;CS-0099788;FT-0689880;A831736;2,4-Difluoro-beta-oxobenzenepropanoic acid ethyl ester;Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate, 92%;ETHYL?-(2,4-DIFLUOROPHENYL)-3-OXOPROPANOATE;3-(2,4-difluorophenyl)-3-oxopropanoic acid ethyl ester;Benzenepropanoic acid, 2,4-difluoro-b-oxo-, ethyl ester

Chemical Property of Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate

Chemical Property:

• Vapor Pressure: 0.00492mmHg at 25°C
• Refractive Index: 1.481
• Boiling Point: 276 °C at 760 mmHg
• PKA: 10.00±0.48(Predicted)
• Flash Point: 117.1 °C
• PSA: 43.37000
• Density: 1.251 g/cm³
• LogP: 2.10070
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 228.05980050
• Heavy Atom Count: 16
• Complexity: 268

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl3-(2,4-difluorophenyl)-3-oxopropanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate

There total 5 articles about Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate 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: 90.0%

ethanol (64-17-5) + 5-(2,4-difluorobenzoyl)-2,2-dimethyl-1,3-dioxane-4,6-dione (1404449-01-9) → ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate (58101-23-8)

Guidance literature:

at 80 ℃; for 5h;

DOI:10.1016/j.bmc.2013.04.013

Reference yield: 70.0%

ethyl potassium malonate (6148-64-7) + 2,4-difluoro-benzoic acid (1583-58-0) → ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate (58101-23-8)

Guidance literature:

ethyl potassium malonate; With triethylamine; In acetonitrile; at 0 - 25 ℃; for 4h;

2,4-difluoro-benzoic acid; In dichloromethane; acetonitrile; at 0 - 25 ℃; for 18h;

DOI:10.1016/j.ejmech.2019.03.040

Reference yield:

diethyl (2,4-difluorobenzoyl)malonate (188394-40-3) → ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate (58101-23-8)

Guidance literature:

With toluene-4-sulfonic acid; In dichloromethane; water;

upstream raw materials:

diethyl (2,4-difluorobenzoyl)malonate

2,4-difluoro-benzoic acid

ethanol

5-(2,4-difluorobenzoyl)-2,2-dimethyl-1,3-dioxane-4,6-dione

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