Ethyl 2-benzyl-4,4,4-trifluoro-3-oxobutanoate

Base Information

Chemical Name:Ethyl 2-benzyl-4,4,4-trifluoro-3-oxobutanoate
CAS No.:118642-72-1
Molecular Formula:C13H13 F3 O3
Molecular Weight:274.24
Hs Code.:2918300090
DSSTox Substance ID:DTXSID80558296
Nikkaji Number:J2.073.534A
Mol file:118642-72-1.mol

Synonyms:118642-72-1;ethyl 2-benzyl-4,4,4-trifluoro-3-oxobutanoate;2-BENZYL-4,4,4-TRIFLUORO-3-OXOBUTYRIC ACID ETHYL ESTER;Benzenepropanoic acid, a-(2,2,2-trifluoroacetyl)-, ethylester;C13H13F3O3;Ethyl 2-benzyl-4,4,4-trifluoro-3-oxo-butanoate;SCHEMBL3797033;DTXSID80558296;YDYTURLXGFPZQI-UHFFFAOYSA-N;AKOS017343310

Suppliers and Price of Ethyl 2-benzyl-4,4,4-trifluoro-3-oxobutanoate

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
2-BENZYL-4,4,4-TRIFLUORO-3-OXOBUTYRIC ACID ETHYL ESTER 95.00%
5G
$ 1436.69

Total 9 raw suppliers

Chemical Property of Ethyl 2-benzyl-4,4,4-trifluoro-3-oxobutanoate

Chemical Property:

Vapor Pressure:0.00157mmHg at 25°C
Refractive Index:1.462
Boiling Point:295°C at 760 mmHg
Flash Point:128.1°C
PSA：43.37000
Density:1.234g/cm³
LogP:2.53980
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:274.08167876
Heavy Atom Count:19
Complexity:320

Purity/Quality:

98%min ^*data from raw suppliers

2-BENZYL-4,4,4-TRIFLUORO-3-OXOBUTYRIC 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(=O)C(F)(F)F

Technology Process of Ethyl 2-benzyl-4,4,4-trifluoro-3-oxobutanoate

There total 11 articles about Ethyl 2-benzyl-4,4,4-trifluoro-3-oxobutanoate 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: 90.0%

: 118642-63-0
N,N-dimethyl hydrazono-3 trifluoro-4,4,4 benzyl-2 butanoate d'ethyle

: 118642-72-1
benzyl-2 trifluoroacetylacetate d'ethyle

Guidance literature:: With ethidium Bromide; In ethanol; for 48h; Heating;
DOI:10.1016/S0022-1139(00)82804-3

Reference yield: 62.0%

: 100-39-0
benzyl bromide

: 372-31-6
ethyl 4,4,4-trifluoroacetoacetate

: 118642-72-1
benzyl-2 trifluoroacetylacetate d'ethyle

Guidance literature:: With sodium hydride; potassium iodide; In acetone; for 48h; Heating;
DOI:10.1016/S0022-1139(00)82803-1

Reference yield:

: 2021-28-5
ethyl dihydrocinnamate

: 118642-72-1
benzyl-2 trifluoroacetylacetate d'ethyle

Guidance literature:: ethyl dihydrocinnamate; With lithium cyclohexylisopropylamide; In tetrahydrofuran; at -78 ℃; for 0.25h;

trifluoroethyl trifluoroacetate; In tetrahydrofuran; at -78 ℃; for 0.333333h;
DOI:10.1021/ol040039z