Ethyl 3-(2,4,5-trifluoro-3-methylphenyl)-3-oxopropanoate

Base Information

Chemical Name:Ethyl 3-(2,4,5-trifluoro-3-methylphenyl)-3-oxopropanoate
CAS No.:112822-88-5
Molecular Formula:C12H11 F3 O3
Molecular Weight:260.2091496
Hs Code.:2918300090
DSSTox Substance ID:DTXSID80555109
Wikidata:Q82436345
Mol file:112822-88-5.mol

Synonyms:112822-88-5;ETHYL 3-(2,4,5-TRIFLUORO-3-METHYLPHENYL)-3-OXOPROPANOATE;ethyl 3-oxo-3-(2,4,5-trifluoro-3-methylphenyl)propanoate;3-oxo-3-(2,4,5-trifluoro-3-methylphenyl)propanoic acid ethyl ester;AB2850;ethyl 2,4,5-trifluoro-3-methylbenzoylacetate;Ethyl 2-(2,4,5-trifluoro-3-methylbenzoyl)acetate;SCHEMBL3190037;DTXSID80555109;FTINRPRTRKCTHJ-UHFFFAOYSA-N;MFCD09037901;ethyl 2,4,5-trifluoro-3-methyl-benzoylacetate;A802664;AZOBENZENE-4,4-DICARBOXYLICACIDDIMETHYLESTER;ethyl3-oxo-3-(2,4,5-trifluoro-3-methylphenyl)propanoate;ethyl 3-oxidanylidene-3-[2,4,5-tris(fluoranyl)-3-methyl-phenyl]propanoate

Suppliers and Price of Ethyl 3-(2,4,5-trifluoro-3-methylphenyl)-3-oxopropanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
Ethyl3-oxo-3-(2,4,5-trifluoro-3-methylphenyl)propanoate 95+%
1g
$ 782.00

American Custom Chemicals Corporation
ETHYL-3-(2,4,5-TRIFLUORO-3-METHYLPHENYL)-3-OXOPROPANOATE 95.00%
5MG
$ 503.09

Total 8 raw suppliers

Chemical Property of Ethyl 3-(2,4,5-trifluoro-3-methylphenyl)-3-oxopropanoate

Chemical Property:

Melting Point:38-39 °C(Solv: hexane (110-54-3))
Boiling Point:306.3±37.0 °C(Predicted)
PKA:10.41±0.50(Predicted)
PSA：43.37000
Density:1.282±0.06 g/cm3(Predicted)
LogP:2.54820
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:260.06602869
Heavy Atom Count:18
Complexity:322

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-oxo-3-(2,4,5-trifluoro-3-methylphenyl)propanoate 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=CC(=C(C(=C1F)C)F)F

Technology Process of Ethyl 3-(2,4,5-trifluoro-3-methylphenyl)-3-oxopropanoate

There total 4 articles about Ethyl 3-(2,4,5-trifluoro-3-methylphenyl)-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:

: 6148-64-7
ethyl potassium malonate

: 112822-85-2
3-methyl-2,4,5-trifluorobenzoic acid

: 112822-88-5
ethyl 2-(2,4,5-trifluoro-3-methylbenzoyl)acetate

Guidance literature:: ethyl potassium malonate; With hydrogenchloride; In water; Cooling;

With triethylamine; magnesium chloride; In acetonitrile; at 20 ℃; for 4h; Cooling with ice;

3-methyl-2,4,5-trifluorobenzoic acid; Further stages;

Reference yield:

: diethyl 2-(2,4,5-trifluoro-3-methylbenzoyl)malonate

: 112822-88-5
ethyl 2-(2,4,5-trifluoro-3-methylbenzoyl)acetate

Guidance literature:: With toluene-4-sulfonic acid; In water;

Reference yield:

: 112822-85-2
3-methyl-2,4,5-trifluorobenzoic acid

: 105-53-3
diethyl malonate

: 112822-88-5
ethyl 2-(2,4,5-trifluoro-3-methylbenzoyl)acetate

Guidance literature:: With hydrogenchloride; thionyl chloride; toluene-4-sulfonic acid; magnesium; In tetrachloromethane; diethyl ether; ethanol; water; benzene;