Ethyl 3-(2,4,6-trifluorophenyl)propanoate

Base Information

Chemical Name:Ethyl 3-(2,4,6-trifluorophenyl)propanoate
CAS No.:377084-09-8
Molecular Formula:C11H11F3O2
Molecular Weight:232.202
Hs Code.:
DSSTox Substance ID:DTXSID30698691
Wikidata:Q82629081
Mol file:377084-09-8.mol

Synonyms:377084-09-8;Ethyl 3-(2,4,6-trifluorophenyl)propanoate;3-(2,4,6-TRIFLUORO-PHENYL)-PROPIONIC ACID ETHYL ESTER;SCHEMBL9105956;DTXSID30698691;NQDLQWQIEGUNLJ-UHFFFAOYSA-N

Suppliers and Price of Ethyl 3-(2,4,6-trifluorophenyl)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

American Custom Chemicals Corporation
3-(2,4,6-TRIFLUORO-PHENYL)-PROPIONIC ACID ETHYL ESTER 95.00%
5MG
$ 497.66

Total 3 raw suppliers

Chemical Property of Ethyl 3-(2,4,6-trifluorophenyl)propanoate

Chemical Property:

PSA：26.30000
LogP:2.59960
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:232.07111408
Heavy Atom Count:16
Complexity:223

Purity/Quality:

98% ^*data from raw suppliers

3-(2,4,6-TRIFLUORO-PHENYL)-PROPIONIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CCC1=C(C=C(C=C1F)F)F

Technology Process of Ethyl 3-(2,4,6-trifluorophenyl)propanoate

There total 2 articles about Ethyl 3-(2,4,6-trifluorophenyl)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: 89.0%

: 1257121-73-5
(E)-ethyl 3-(2,4,6-trifluorophenyl)acrylate

: 377084-09-8
ethyl 3-(2,4,6-trifluorophenyl)propanoate

Guidance literature:: With formic acid; triethylamine; palladium 10% on activated carbon; In water; ethyl acetate; at 90 ℃; for 1h; Inert atmosphere; Reflux;

Reference yield:

: 58551-83-0
2,4,6-trifluorobenzaldehyde

: 377084-09-8
ethyl 3-(2,4,6-trifluorophenyl)propanoate

Guidance literature:: Multi-step reaction with 2 steps

1.1: potassium tert-butylate / tetrahydrofuran; N,N-dimethyl-formamide / 0.5 h / 0 - 20 °C

1.2: 0.75 h / 0 - 20 °C

2.1: formic acid; triethylamine / palladium 10% on activated carbon / water; ethyl acetate / 1 h / 90 °C / Inert atmosphere; Reflux

With formic acid; potassium tert-butylate; triethylamine; palladium 10% on activated carbon; In tetrahydrofuran; water; ethyl acetate; N,N-dimethyl-formamide;

Reference yield: 100.0%

: 377084-09-8
ethyl 3-(2,4,6-trifluorophenyl)propanoate

: 109-94-4
formic acid ethyl ester

: 1380429-42-4
ethyl 2-formyl-3-(2,4,6-trifluorophenyl)propanoate

Guidance literature:: ethyl 3-(2,4,6-trifluorophenyl)propanoate; formic acid ethyl ester; With sodium hydride; In 1,2-dimethoxyethane; at 20 ℃;

With acetic acid; In 1,2-dimethoxyethane;