Ethyl 3-oxo-3-(4-(trifluoromethoxy)phenyl)propanoate

Base Information

Chemical Name:Ethyl 3-oxo-3-(4-(trifluoromethoxy)phenyl)propanoate
CAS No.:252955-06-9
Molecular Formula:C12H11F3O4
Molecular Weight:276.21
Hs Code.:2918990090
DSSTox Substance ID:DTXSID20443192
Nikkaji Number:J1.490.438G
Wikidata:Q82260904
Mol file:252955-06-9.mol

Synonyms:252955-06-9;ethyl 3-oxo-3-(4-(trifluoromethoxy)phenyl)propanoate;Ethyl 3-oxo-3-[4-(trifluoromethoxy)phenyl]propanoate;Ethyl 3-Oxo-3-[4-(trifluoromethoxy)phenyl]propionate;MFCD08061570;ethyl 3-oxo-3-(4-trifluoromethoxyphenyl)propanoate;SCHEMBL5100087;DTXSID20443192;OZDBXRIZLMRCIX-UHFFFAOYSA-N;AKOS005064020;AC-7784;SY036947;CS-0433694;C78097;A817768;3-[4-(Trifluoromethoxy)phenyl]-3-oxopropanoic acid ethyl ester;Benzenepropanoic acid, I(2)-oxo-4-(trifluoromethoxy)-, ethylester;ethyl 3-oxo-3-[4-(trifluoromethoxy)phenyl]propanoate

Suppliers and Price of Ethyl 3-oxo-3-(4-(trifluoromethoxy)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

Labseeker
Ethyl3-[4-(trifluoromethoxy)-phenyl]-3-oxopropanoate 95
25g
$ 2475.00

Labseeker
Ethyl3-[4-(trifluoromethoxy)-phenyl]-3-oxopropanoate 95
5g
$ 1333.00

Crysdot
Ethyl3-oxo-3-(4-(trifluoromethoxy)phenyl)propanoate 95+%
5g
$ 671.00

Alichem
Ethyl3-oxo-3-(4-(trifluoromethoxy)phenyl)propanoate
1g
$ 187.46

AK Scientific
Ethyl3-oxo-3-(4-(trifluoromethoxy)phenyl)propanoate
5g
$ 863.00

Acrotein
Ethyl3-oxo-3-(4-trifluoromethoxyphenyl)propanoate 97%
5g
$ 797.50

Total 24 raw suppliers

Chemical Property of Ethyl 3-oxo-3-(4-(trifluoromethoxy)phenyl)propanoate

Chemical Property:

Boiling Point:296.687 °C at 760 mmHg
PKA:9.39±0.25(Predicted)
Flash Point:129.035 °C
PSA：52.60000
Density:1.289 g/cm³
LogP:2.72110
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:276.06094331
Heavy Atom Count:19
Complexity:319

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-[4-(trifluoromethoxy)-phenyl]-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=CC=C(C=C1)OC(F)(F)F

Technology Process of Ethyl 3-oxo-3-(4-(trifluoromethoxy)phenyl)propanoate

There total 5 articles about Ethyl 3-oxo-3-(4-(trifluoromethoxy)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: 64.0%

: 623-73-4
diazoacetic acid ethyl ester

: 659-28-9
p-trifluoromethoxybenzaldehyde

: 252955-06-9
ethyl 3-oxo-3-[4-(trifluoromethoxy)phenyl]propanoate

Guidance literature:: With niobium pentachloride; In dichloromethane; at 20 ℃; for 48h; Inert atmosphere;
DOI:10.1021/jm201179h

Reference yield: 26.0%

: 407-14-7
1-bromo-4-(trifluoromethoxy)benzene

: 36239-09-5
ethyl chlorocarbonylacetate

: 252955-06-9
ethyl 3-oxo-3-[4-(trifluoromethoxy)phenyl]propanoate

Guidance literature:: 1-bromo-4-(trifluoromethoxy)benzene; With n-butyllithium; In diethyl ether; hexane; at -75 ℃; for 0.75h;

With copper(I) bromide dimethylsulfide complex; In diethyl ether; hexane; at -75 ℃; for 0.0833333h;

ethyl chlorocarbonylacetate; In diethyl ether; hexane; at -75 ℃; for 2h; Further stages.;
DOI:10.1002/1099-0690(200102)2001:4<691::AID-EJOC691>3.0.CO;2-A