4,4,4-Trifluoro-2,2-dimethylbutanoic acid

Base Information

Chemical Name:4,4,4-Trifluoro-2,2-dimethylbutanoic acid
CAS No.:939399-07-2
Molecular Formula:C6H9F3O2
Molecular Weight:170.131
Hs Code.:2915601990
European Community (EC) Number:689-324-7
DSSTox Substance ID:DTXSID80434829
Wikidata:Q82249361
Mol file:939399-07-2.mol

Synonyms:939399-07-2;4,4,4-trifluoro-2,2-dimethylbutanoic acid;2-2-DIMETHYL-4,4,4-TRIFLUOROBUTANOIC ACID;2,2-Dimethyl-4,4,4-trifluorobutanoic acid;SCHEMBL760939;DTXSID80434829;MFCD09998070;AKOS017390804;AT15949;2,2-Dimethyl-4,4,4-trifluorobutanoicacid;CS-0211688;EN300-298972;F8885-1590

Suppliers and Price of 4,4,4-Trifluoro-2,2-dimethylbutanoic acid

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
4,4,4-trifluoro-2,2-dimethylbutanoicacid
100mg
$ 285.00

SynQuest Laboratories
4,4,4-Trifluoro-2,2-dimethylbutyric acid 95%
5 g
$ 995.00

SynQuest Laboratories
4,4,4-Trifluoro-2,2-dimethylbutyric acid 95%
1 g
$ 295.00

SynQuest Laboratories
4,4,4-Trifluoro-2,2-dimethylbutyric acid 95%
250 mg
$ 95.00

Apolloscientific
2,2-Dimethyl-4,4,4-trifluorobutanoicacid 95%
250mg
$ 109.00

American Custom Chemicals Corporation
2-2-DIMETHYL-4,4,4-TRIFLUOROBUTANOIC ACID 95.00%
1G
$ 744.98

American Custom Chemicals Corporation
2-2-DIMETHYL-4,4,4-TRIFLUOROBUTANOIC ACID 95.00%
5G
$ 1206.98

AK Scientific
4,4,4-Trifluoro-2,2-dimethylbutanoicacid
10g
$ 8382.00

Total 6 raw suppliers

Chemical Property of 4,4,4-Trifluoro-2,2-dimethylbutanoic acid

Chemical Property:

PSA：37.30000
LogP:2.04960
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:170.05546401
Heavy Atom Count:11
Complexity:160

Purity/Quality:

95% ^*data from raw suppliers

4,4,4-trifluoro-2,2-dimethylbutanoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:C

MSDS Files:

Useful:

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

Technology Process of 4,4,4-Trifluoro-2,2-dimethylbutanoic acid

There total 3 articles about 4,4,4-Trifluoro-2,2-dimethylbutanoic acid 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: 72.66%

: benzyl 4,4,4-trifluoro-2,2-dimethylbutanoate

: 939399-07-2
4,4,4-trifluoro-2,2-dimethylbutanoic acid

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In methanol; at 25 ℃; for 1h;

Reference yield:

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

: 939399-07-2
4,4,4-trifluoro-2,2-dimethylbutanoic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; methanol; water;
DOI:10.1021/jm00035a008

Reference yield:

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

: 939399-07-2
4,4,4-trifluoro-2,2-dimethylbutanoic acid

Guidance literature:: Multi-step reaction with 2 steps

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

2: lithium hydroxide monohydrate / methanol; tetrahydrofuran; H₂O

With lithium hydroxide; lithium diisopropyl amide; In tetrahydrofuran; methanol; water;
DOI:10.1021/jm00035a008