Methyl 4,4,4-trifluorobutyrate

Base Information

Chemical Name:Methyl 4,4,4-trifluorobutyrate
CAS No.:2365-82-4
Molecular Formula:C₅H₇F₃O₂
Molecular Weight:156.105
Hs Code.:2915900090
DSSTox Substance ID:DTXSID50382060
Wikidata:Q72491930
Mol file:2365-82-4.mol

Synonyms:Methyl 4,4,4-trifluorobutyrate;2365-82-4;Methyl 4,4,4-trifluorobutanoate;Methyl4,4,4-trifluorobutyrate;MFCD04038323;SCHEMBL9103267;Methyl4,4,4-trifluorobutanoate;AMY6803;DTXSID50382060;CEGJOFKYHSOQME-UHFFFAOYSA-N;AKOS005063433;BS-42173;4,4,4-Trifluoro-butyric acid methyl ester;FT-0676854;methyl 4,4,4-trifluorobutyrate, AldrichCPR;Butanoic acid,4,4,4-trifluoro-,methyl ester;A816827;J-522675

Suppliers and Price of Methyl 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
Methyl4,4,4-Trifluorobutyrate
50mg
$ 45.00

SynQuest Laboratories
Methyl 4,4,4-trifluorobutyrate 96%
1 g
$ 55.00

SynQuest Laboratories
Methyl 4,4,4-trifluorobutyrate 96%
5 g
$ 165.00

Matrix Scientific
Methyl 4,4,4-trifluorobutyrate 97%
5g
$ 172.00

Matrix Scientific
Methyl 4,4,4-trifluorobutyrate 97%
1g
$ 57.00

American Custom Chemicals Corporation
METHYL 4,4,4-TRIFLUOROBUTYRATE 95.00%
5G
$ 893.37

American Custom Chemicals Corporation
METHYL 4,4,4-TRIFLUOROBUTYRATE 95.00%
1G
$ 632.80

AK Scientific
Methyl4,4,4-trifluorobutyrate
1g
$ 77.00

Acrotein
Methyl4,4,4-trifluorobutyrate 97%
0.5g
$ 68.75

Total 29 raw suppliers

Chemical Property of Methyl 4,4,4-trifluorobutyrate

Chemical Property:

Vapor Pressure:126mmHg at 25°C
Refractive Index:1.345
Boiling Point:71.1 °C at 760 mmHg
Flash Point:-16℃
PSA：26.30000
Density:1.192 g/cm³
LogP:1.50190
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:156.03981395
Heavy Atom Count:10
Complexity:119

Purity/Quality:

99%, ^*data from raw suppliers

Methyl4,4,4-Trifluorobutyrate ^*data from reagent suppliers

Safty Information:

Pictogram(s): F;Xi
Hazard Codes:F,Xi
Statements: 10
Safety Statements: 16

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)CCC(F)(F)F

Technology Process of Methyl 4,4,4-trifluorobutyrate

There total 5 articles about Methyl 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:

: 67-56-1
methanol

: 677-21-4
1,1,1-trifluoropropylene

: 201230-82-2
carbon monoxide

: 339-17-3,121773-38-4
2-(trifluoromethyl)propionic acid methyl ester

: 2365-82-4
methyl 4,4,4-trifluorobutanoate

Guidance literature:: bis-triphenylphosphine-palladium(II) chloride; In benzene; at 100 ℃; for 62h; under 83600.1 Torr; Yield given. Yields of byproduct given;
DOI:10.1021/jo00169a040

Reference yield:

: 616-38-6
carbonic acid dimethyl ester

: 2365-82-4
methyl 4,4,4-trifluorobutanoate

Guidance literature:: With diethyl ether;
DOI:10.1021/ja01167a069

Reference yield:

: 554-12-1
propanoic acid methyl ester

: 1680206-12-5
Grushin’s reagent

: 339-17-3,121773-38-4
2-(trifluoromethyl)propionic acid methyl ester

: 2365-82-4
methyl 4,4,4-trifluorobutanoate

Guidance literature:: With oxone||potassium monopersulfate triple salt; In water; acetonitrile; at 30 ℃; for 3h; Overall yield = 71 percentChromat.; Inert atmosphere; Irradiation;
DOI:10.1002/anie.202012263