Ethyl 2,2-dimethyl-4,4,4-trifluorobutyrate

Base Information

Chemical Name:Ethyl 2,2-dimethyl-4,4,4-trifluorobutyrate
CAS No.:885275-92-3
Molecular Formula:C8H13F3O2
Molecular Weight:198.185
Hs Code.:2915900090
European Community (EC) Number:828-045-9
DSSTox Substance ID:DTXSID00433758
Wikidata:Q82247973

Synonyms:Ethyl 2,2-dimethyl-4,4,4-trifluorobutyrate;885275-92-3;ethyl 4,4,4-trifluoro-2,2-dimethylbutanoate;MFCD07784244;SCHEMBL761783;DTXSID00433758;AKOS006345489;Ethyl 2,2-dimethyl-4,4,4-trifluorobutanoate;ethyl-4,4,4-trifluoro-2,2-dimethylbutanoate

Suppliers and Price of Ethyl 2,2-dimethyl-4,4,4-trifluorobutyrate

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

TRC
Ethyl2,2-dimethyl-4,4,4-trifluorobutyrate
500mg
$ 220.00

SynQuest Laboratories
Ethyl 2,2-dimethyl-4,4,4-trifluorobutyrate
1 g
$ 125.00

SynQuest Laboratories
Ethyl 2,2-dimethyl-4,4,4-trifluorobutyrate
250 mg
$ 32.00

SynQuest Laboratories
Ethyl 2,2-dimethyl-4,4,4-trifluorobutyrate
5 g
$ 425.00

American Custom Chemicals Corporation
ETHYL 2,2-DIMETHYL-4,4,4-TRIFLUOROBUTYRATE 95.00%
5G
$ 1158.23

American Custom Chemicals Corporation
ETHYL 2,2-DIMETHYL-4,4,4-TRIFLUOROBUTYRATE 95.00%
10G
$ 1716.21

AK Scientific
Ethyl4,4,4-trifluoro-2,2-dimethylbutanoate
5g
$ 1244.00

Total 3 raw suppliers

Chemical Property of Ethyl 2,2-dimethyl-4,4,4-trifluorobutyrate

Chemical Property:

PSA：26.30000
LogP:2.52810
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:198.08676414
Heavy Atom Count:13
Complexity:184

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl2,2-dimethyl-4,4,4-trifluorobutyrate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:F
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C)(C)CC(F)(F)F

Technology Process of Ethyl 2,2-dimethyl-4,4,4-trifluorobutyrate

There total 2 articles about Ethyl 2,2-dimethyl-4,4,4-trifluorobutyrate 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:

: 371-26-6
ethyl 4,4,4-trifluorobutanoate

: 885275-92-3
ethyl 4,4,4-trifluoro-2,2-dimethylbutanoate

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) diisopropylamine, butyllithium / 1.) THF, hexanes, -70 deg C, 30 min, 2.) THF, hexanes, from -70 deg C to RT

2: 1.) lithium diisopropylamide / 1.) THF, -78 deg C, 2.) THF, -30 deg C

With n-butyllithium; diisopropylamine; lithium diisopropyl amide;
DOI:10.1021/jm00035a008

Reference yield:

: 143484-00-8
ethyl 2-methyl-4,4,4-trifluorobutanoate

: 74-88-4
methyl iodide

: 885275-92-3
ethyl 4,4,4-trifluoro-2,2-dimethylbutanoate

Guidance literature:: With lithium diisopropyl amide; Multistep reaction; 1.) THF, -78 deg C, 2.) THF, -30 deg C;
DOI:10.1021/jm00035a008

Reference yield:

: 885275-92-3
ethyl 4,4,4-trifluoro-2,2-dimethylbutanoate

: 1027649-42-8
3-Methoxy-4-[1-methyl-5-(4,4,4-trifluoro-2,2-dimethyl-butylcarbamoyl)-1H-indol-3-ylmethyl]-benzoic acid methyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: lithium hydroxide monohydrate / methanol; tetrahydrofuran; H₂O

2: 1.) 1,1'-carbonyldiimidazole, 2.) ammonia / 1.) CH₂Cl₂, reflux, 30 min, 2.) CH₂Cl₂, RT, 18 h

3: lithium aluminum hydride / diethyl ether / 12 h / Heating

4: 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide, 4-(dimethylamino)pyridine / CH₂Cl₂ / 18 h / Ambient temperature

With dmap; lithium hydroxide; lithium aluminium tetrahydride; ammonia; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; 1,1'-carbonyldiimidazole; In tetrahydrofuran; methanol; diethyl ether; dichloromethane; water;
DOI:10.1021/jm00035a008