Ethyl 3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate

Base Information

Chemical Name:Ethyl 3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
CAS No.:89424-17-9
Molecular Formula:C12H11F3O3
Molecular Weight:260.21
Hs Code.:2918300090
DSSTox Substance ID:DTXSID10375094
Wikidata:Q82163633
Mol file:89424-17-9.mol

Synonyms:89424-17-9;ethyl 3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate;Ethyl (2-trifluoromethylbenzoyl)acetate;Ethyl 3-oxo-3-(2-(trifluoromethyl)phenyl)propanoate;3-Oxo-3-(2-trifluoromethylphenyl)propionic acid ethyl ester;MFCD03424820;3-oxo-3-(2-trifluoromethyl-phenyl)-propionic acid ethyl ester;ethyl 3-[2-(trifluoromethyl)phenyl]-3-oxopropanoate;SCHEMBL401715;DTXSID10375094;AKOS005063991;AC-7802;SY122674;CS-0061611;FT-0642123;Ethyl b-oxo-2-trifluoromethyl-benzenepropanoate;W16962;A843194

Suppliers and Price of Ethyl 3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate

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

Sigma-Aldrich
Ethyl (2-trifluoromethylbenzoyl)acetate
1g
$ 88.40

Crysdot
Ethyl3-oxo-3-(2-(trifluoromethyl)phenyl)propanoate 95+%
1g
$ 119.00

Crysdot
Ethyl3-oxo-3-(2-(trifluoromethyl)phenyl)propanoate 95+%
10g
$ 644.00

Crysdot
Ethyl3-oxo-3-(2-(trifluoromethyl)phenyl)propanoate 95+%
5g
$ 376.00

CHESS?
KE000131:3-Oxo-3-(2-trifluoromethyl-phenyl)-propionicacidethylester 95
1 g
$ 276.00

ChemScene
Ethyl (2-trifluoromethylbenzoyl)acetate
1g
$ 156.00

ChemScene
Ethyl (2-trifluoromethylbenzoyl)acetate
250mg
$ 78.00

ChemScene
Ethyl (2-trifluoromethylbenzoyl)acetate
5g
$ 469.00

Chemenu
Ethyl3-oxo-3-(2-(trifluoromethyl)phenyl)propanoate 95%
5g
$ 355.00

Chemenu
Ethyl3-oxo-3-(2-(trifluoromethyl)phenyl)propanoate 95%
10g
$ 608.00

Total 25 raw suppliers

Chemical Property of Ethyl 3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate

Chemical Property:

Refractive Index:n20/D 1.4875(lit.)
Boiling Point:288.8 °C at 760 mmHg
Flash Point:124.5 °C
PSA：43.37000
Density:1.254g/cm³
LogP:2.84130
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:260.06602869
Heavy Atom Count:18
Complexity:312

Purity/Quality:

97% ^*data from raw suppliers

Ethyl (2-trifluoromethylbenzoyl)acetate ^*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=CC=C1C(F)(F)F

Technology Process of Ethyl 3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate

There total 3 articles about Ethyl 3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate 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: 83.0%

: 89424-17-9
ethyl (2-trifluoromethylbenzoyl)acetate

Guidance literature:

Reference yield:

: C₁₁H₇F₃N₂O

: 6148-64-7
ethyl potassium malonate

: 89424-17-9
ethyl (2-trifluoromethylbenzoyl)acetate

Guidance literature:: ethyl potassium malonate; With triethylamine; magnesium chloride; In tetrahydrofuran; at 25 ℃; for 6h;

C₁₁H₇F₃N₂O; In tetrahydrofuran; Reflux;
DOI:10.1021/acs.jafc.9b06360

Reference yield:

: 433-97-6
2-trifluoromethylbenzoic acid

: 89424-17-9
ethyl (2-trifluoromethylbenzoyl)acetate

Guidance literature:: Multi-step reaction with 2 steps

1.1: tetrahydrofuran / Reflux

2.1: magnesium chloride; triethylamine / tetrahydrofuran / 6 h / 25 °C

2.2: Reflux

With triethylamine; magnesium chloride; In tetrahydrofuran;
DOI:10.1021/acs.jafc.9b06360