Ethyl 3-[3-(trifluoromethyl)phenyl]prop-2-ynoate

Base Information

Chemical Name:Ethyl 3-[3-(trifluoromethyl)phenyl]prop-2-ynoate
CAS No.:58686-69-4
Molecular Formula:C12H9F3O2
Molecular Weight:242.19
Hs Code.:
European Community (EC) Number:871-145-2
DSSTox Substance ID:DTXSID30697664
Wikidata:Q82627623
Mol file:58686-69-4.mol

Synonyms:58686-69-4;Ethyl 3-[3-(trifluoromethyl)phenyl]prop-2-ynoate;(3-TRIFLUOROMETHYL-PHENYL)-PROPYNOIC ACID ETHYL ESTER;DTXSID30697664;EN300-13961609

Suppliers and Price of Ethyl 3-[3-(trifluoromethyl)phenyl]prop-2-ynoate

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-TRIFLUOROMETHYL-PHENYL)PROPYNOIC ACID ETHYL ESTER 95.00%
5MG
$ 500.39

Total 4 raw suppliers

Chemical Property of Ethyl 3-[3-(trifluoromethyl)phenyl]prop-2-ynoate

Chemical Property:

Boiling Point:278.6±40.0 °C(Predicted)
PSA：26.30000
Density:1.26±0.1 g/cm3(Predicted)
LogP:2.62000
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:242.05546401
Heavy Atom Count:17
Complexity:335

Purity/Quality:

97% ^*data from raw suppliers

(3-TRIFLUOROMETHYL-PHENYL)PROPYNOIC 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)C#CC1=CC(=CC=C1)C(F)(F)F

Technology Process of Ethyl 3-[3-(trifluoromethyl)phenyl]prop-2-ynoate

There total 2 articles about Ethyl 3-[3-(trifluoromethyl)phenyl]prop-2-ynoate 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: 75.0%

: 1423-26-3
(meta-(trifluoromethyl)phenyl)boronic acid

: 623-47-2
propynoic acid ethyl ester

: 58686-69-4
ethyl 3-(3-(trifluoromethyl)phenyl)propiolate

Guidance literature:: With copper(l) iodide; air; caesium carbonate; silver(l) oxide; In dichloromethane; at 80 ℃; for 36h;
DOI:10.1016/j.tetlet.2009.06.093

Reference yield:

: 705-28-2
1-ethynyl-3-trifluoromethylbenzene

: 541-41-3
chloroformic acid ethyl ester

: 58686-69-4
ethyl 3-(3-(trifluoromethyl)phenyl)propiolate

Guidance literature:: 1-ethynyl-3-trifluoromethylbenzene; With n-butyllithium;

chloroformic acid ethyl ester;
DOI:10.1139/v11-135

Reference yield: 92.0%

: 58686-69-4
ethyl 3-(3-(trifluoromethyl)phenyl)propiolate

: 1717-42-6
ethyl (3-trifluoromethylbenzoyl)acetate

Guidance literature:: With silver hexafluoroantimonate; C₂₇H₃₆AuClN₂⁽¹⁺⁾; acetone; at 60 ℃; for 9h; Temperature; regioselective reaction;
DOI:10.1002/ejoc.201601025