4,4,4-Trifluoro-2-propyl-3-oxobutyric acid ethyl ester

Base Information

Chemical Name:4,4,4-Trifluoro-2-propyl-3-oxobutyric acid ethyl ester
CAS No.:10556-91-9
Molecular Formula:C₉H₁₃F₃O₃
Molecular Weight:226.196
Hs Code.:
DSSTox Substance ID:DTXSID20558295
Mol file:10556-91-9.mol

Synonyms:10556-91-9;4,4,4-TRIFLUORO-2-PROPYL-3-OXOBUTYRIC ACID ETHYL ESTER;Ethyl 2-(2,2,2-trifluoroacetyl)pentanoate;ethyl 2-(trifluoroacetyl)pentanoate;DTXSID20558295;AKOS017343308

Suppliers and Price of 4,4,4-Trifluoro-2-propyl-3-oxobutyric 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
Packaging
price

American Custom Chemicals Corporation
4,4,4-TRIFLUORO-2-PROPYL-3-OXOBUTYRIC ACID ETHYL ESTER 95.00%
5G
$ 1436.69

Total 8 raw suppliers

Chemical Property of 4,4,4-Trifluoro-2-propyl-3-oxobutyric acid ethyl ester

Chemical Property:

Vapor Pressure:0.264mmHg at 25°C
Refractive Index:1.388
Boiling Point:204.4°C at 760 mmHg
PKA:9.21±0.35(Predicted)
Flash Point:75.5°C
PSA：43.37000
Density:1.163g/cm³
LogP:2.09720
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:226.08167876
Heavy Atom Count:15
Complexity:235

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,4,4-TRIFLUORO-2-PROPYL-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:CCCC(C(=O)C(F)(F)F)C(=O)OCC

Technology Process of 4,4,4-Trifluoro-2-propyl-3-oxobutyric acid ethyl ester

There total 6 articles about 4,4,4-Trifluoro-2-propyl-3-oxobutyric 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:

: 118642-87-8
ethylenedioxy-3,3 trifluoro-4,4,4 propyl-2 butanoate d'ethyle

: 10556-91-9
propyl-2 trifluoroacetylacetate d'ethyle

Guidance literature:: With boron tribromide; In hexane; at -10 ℃; for 1h; Yield given;
DOI:10.1016/S0022-1139(00)82804-3

Reference yield:

: 107-08-4
1-iodo-propane

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

: 10556-91-9
propyl-2 trifluoroacetylacetate d'ethyle

: (Z)-4,4,4-Trifluoro-3-propoxy-but-2-enoic acid ethyl ester

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 50 ℃; for 48h;
DOI:10.1016/S0022-1139(00)82803-1

Reference yield:

: 70976-12-4
ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetate

: 10556-91-9
propyl-2 trifluoroacetylacetate d'ethyle

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent Chromat_. / 1 M LDA; HMPT / tetrahydrofuran / 1.) 40 min; 2.) 10 min; 3.) 30 min; 4.) 4 h to RT

2: 1 M BBr₃ / hexane / 1 h / -10 °C

With N,N,N,N,N,N-hexamethylphosphoric triamide; boron tribromide; lithium diisopropyl amide; In tetrahydrofuran; hexane;
DOI:10.1016/S0022-1139(00)82804-3