Ethyl 3-[4-(trifluoromethyl)phenyl]prop-2-ynoate

Base Information

Chemical Name:Ethyl 3-[4-(trifluoromethyl)phenyl]prop-2-ynoate
CAS No.:337510-18-6
Molecular Formula:C12H9F3O2
Molecular Weight:242.197
Hs Code.:2916399090
DSSTox Substance ID:DTXSID60463778
Nikkaji Number:J1.999.812F
Wikidata:Q82288810
Mol file:337510-18-6.mol

Synonyms:337510-18-6;Ethyl 3-[4-(trifluoromethyl)phenyl]prop-2-ynoate;(4-TRIFLUOROMETHYL-PHENYL)-PROPYNOIC ACID ETHYL ESTER;SCHEMBL6830366;DTXSID60463778;QJFRNHSILSPNNS-UHFFFAOYSA-N

Suppliers and Price of Ethyl 3-[4-(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
(4-TRIFLUOROMETHYL-PHENYL)PROPYNOIC ACID ETHYL ESTER 95.00%
5MG
$ 495.66

Total 4 raw suppliers

Chemical Property of Ethyl 3-[4-(trifluoromethyl)phenyl]prop-2-ynoate

Chemical Property:

Vapor Pressure:0.00635mmHg at 25°C
Boiling Point:271.7oC at 760 mmHg
Flash Point:114.5oC
PSA：26.30000
Density:1.26g/cm3
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:327

Purity/Quality:

97% ^*data from raw suppliers

(4-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=C(C=C1)C(F)(F)F

Technology Process of Ethyl 3-[4-(trifluoromethyl)phenyl]prop-2-ynoate

There total 9 articles about Ethyl 3-[4-(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: 86.0%

: 705-31-7
4-trifluoromethylphenylacetylene

: 541-41-3
chloroformic acid ethyl ester

: 337510-18-6
ethyl 3-(4-(trifluoromethyl)phenyl)propiolate

Guidance literature:: 4-trifluoromethylphenylacetylene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

chloroformic acid ethyl ester; In tetrahydrofuran; hexane;
DOI:10.1039/c8ob02482k

Reference yield: 83.0%

: 455-13-0
4-Iodobenzotrifluoride

: 623-47-2
propynoic acid ethyl ester

: 337510-18-6
ethyl 3-(4-(trifluoromethyl)phenyl)propiolate

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; potassium carbonate; In 1,2-dimethoxyethane; at 40 ℃; for 22h; Inert atmosphere; Schlenk technique; Sealed tube;
DOI:10.1016/j.dyepig.2017.04.049

Reference yield: 83.0%

: 64-17-5
ethanol

: 201230-82-2
carbon monoxide

: 705-31-7
4-trifluoromethylphenylacetylene

: 337510-18-6
ethyl 3-(4-(trifluoromethyl)phenyl)propiolate

Guidance literature:: With palladium 10% on activated carbon; oxygen; tetra-(n-butyl)ammonium iodide; In 1,4-dioxane; at 80 ℃; for 8h; under 760.051 Torr; Autoclave;
DOI:10.1055/s-0032-1316896