2-Propanone, 1-(acetyloxy)-3-[4-(trifluoromethoxy)phenyl]-

Base Information

Chemical Name:2-Propanone, 1-(acetyloxy)-3-[4-(trifluoromethoxy)phenyl]-
CAS No.:851547-53-0
Molecular Formula:C12H11F3O4
Molecular Weight:276.212
Hs Code.:
DSSTox Substance ID:DTXSID80582778
Wikidata:Q82474277

Synonyms:851547-53-0;2-Propanone, 1-(acetyloxy)-3-[4-(trifluoromethoxy)phenyl]-;SCHEMBL2251778;DTXSID80582778;OVSDSHKIDXWMEP-UHFFFAOYSA-N;2-Oxo-3-[4-(trifluoromethoxy)phenyl]propyl acetate

Suppliers and Price of 2-Propanone, 1-(acetyloxy)-3-[4-(trifluoromethoxy)phenyl]-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 2-Propanone, 1-(acetyloxy)-3-[4-(trifluoromethoxy)phenyl]-

Chemical Property:

XLogP3:2.6
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:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OCC(=O)CC1=CC=C(C=C1)OC(F)(F)F

Technology Process of 2-Propanone, 1-(acetyloxy)-3-[4-(trifluoromethoxy)phenyl]-

There total 4 articles about 2-Propanone, 1-(acetyloxy)-3-[4-(trifluoromethoxy)phenyl]- 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: 42.4%

: 851547-51-8
1-chloro-3-(4-trifluoromethoxyphenyl)propan-2-one

: 3396-11-0
cesium acetate

: 851547-53-0
2-oxo-3-(4-trifluoromethoxyphenyl)propyl acetate

Guidance literature:: With acetic acid; In ethanol; water; for 3h; Heating / reflux;

Reference yield: 42.0%

: 851547-51-8
1-chloro-3-(4-trifluoromethoxyphenyl)propan-2-one

: 64-19-7,77671-22-8
acetic acid

: 851547-53-0
2-oxo-3-(4-trifluoromethoxyphenyl)propyl acetate

Guidance literature:: With triethylamine; In acetone; at 20 ℃;
DOI:10.1021/jm060631p

Reference yield:

: 4315-07-5
4-(trifluoromethoxy)phenylacetic acid

: 851547-53-0
2-oxo-3-(4-trifluoromethoxyphenyl)propyl acetate

Guidance literature:: Multi-step reaction with 3 steps

1.1: oxalyl chloride; DMF / tetrahydrofuran / 1 h

2.1: diethyl ether; tetrahydrofuran

2.2: HCl / diethyl ether; tetrahydrofuran

3.1: 42 percent / Et₃N / acetone / 20 °C

With oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; In tetrahydrofuran; diethyl ether; acetone;
DOI:10.1021/jm060631p