Trifluoromethylsulfanyl-acetic acid ethyl ester

Base Information

Chemical Name:Trifluoromethylsulfanyl-acetic acid ethyl ester
CAS No.:65540-51-4
Molecular Formula:C5H7F3O2S
Molecular Weight:188.171
Hs Code.:
DSSTox Substance ID:DTXSID10461567
Nikkaji Number:J1.139.735B
Wikidata:Q82285937

Synonyms:trifluoromethylsulfanyl-acetic acid ethyl ester;65540-51-4;(Trifluoromethylthio)acetic acid ethyl ester;MFCD16617909;Ethyl 2-(trifluoromethylsulfanyl)acetate;Acetic acid, [(trifluoromethyl)thio]-, ethyl ester;DTXSID10461567;OFWYGBPXVQQCGS-UHFFFAOYSA-N;AKOS017343341;Ethyl 2-((trifluoromethyl)thio)acetate;MS-20383

Suppliers and Price of Trifluoromethylsulfanyl-acetic acid ethyl ester

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
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Total 2 raw suppliers

Chemical Property of Trifluoromethylsulfanyl-acetic acid ethyl ester

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:188.01188512
Heavy Atom Count:11
Complexity:134

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CSC(F)(F)F

Technology Process of Trifluoromethylsulfanyl-acetic acid ethyl ester

There total 1 articles about Trifluoromethylsulfanyl-acetic acid ethyl ester 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%

: 811-68-7
silver(I) trifluoromethanethiolate

: 105-36-2
ethyl bromoacetate

: 65540-51-4
Ethyl <(trifluoromethyl)thio>acetate

Guidance literature:: With potassium iodide; In acetonitrile; at 20 ℃; for 0.166667h;
DOI:10.1039/c5ob00858a

Reference yield: 53.0%

: 65540-51-4
Ethyl <(trifluoromethyl)thio>acetate

: 100-52-7
benzaldehyde

: (E)-Ethyl 3-phenyl-2-(trifluoromethylthio)acrylate

: (Z)-Ethyl 3-phenyl-2-(trifluoromethylthio)acrylate

: Diethyl 1-trifluoromethylthio-3-phenylcyclopropane-1,2-carboxylate

: Diethyl 2,4-bis(trifluoromethylthio)-3-phenylpentan-1,5-dioate

Guidance literature:: Ethyl <(trifluoromethyl)thio>acetate; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -23 ℃; for 0.5h;

benzaldehyde; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 3h;
DOI:10.1016/S0022-1139(00)00375-4

Reference yield:

: 65540-51-4
Ethyl <(trifluoromethyl)thio>acetate

: (2,5-dimethylphenyl)(2-ethoxy-2-oxoethyl)(trifluoromethyl)sulfonium trifluoromethanesulfonate

Guidance literature:: Multi-step reaction with 2 steps

1: acetic acid; dihydrogen peroxide / 1 h / 100 °C / Inert atmosphere

2: nitromethane / 15.17 h / -25 - 20 °C / Inert atmosphere

With dihydrogen peroxide; acetic acid; In nitromethane;
DOI:10.1002/anie.202005531