Tert-butyl 2,4,5-trifluorobenzoate

Base Information

Chemical Name:Tert-butyl 2,4,5-trifluorobenzoate
CAS No.:182875-05-4
Molecular Formula:C11H11F3O2
Molecular Weight:232.202
Hs Code.:
DSSTox Substance ID:DTXSID70446491
Nikkaji Number:J766.598I
Wikidata:Q82265145
Mol file:182875-05-4.mol

Synonyms:Tert-butyl 2,4,5-trifluorobenzoate;182875-05-4;SCHEMBL364791;Benzoic acid, 2,4,5-trifluoro-, 1,1-dimethylethyl ester;DTXSID70446491;YHLADGKQRNGNIV-UHFFFAOYSA-N;2,4,5-Trifluorobenzoic acid tert-butyl ester;A1-06362

Suppliers and Price of Tert-butyl 2,4,5-trifluorobenzoate

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

Matrix Scientific
tert-Butyl 2,4,5-trifluorobenzoate 95%
5g
$ 1320.00

Chemcia Scientific
2,4,5-Trifluoro-benzoicacidtert-butylester 95%
1 G
$ 275.00

A1 Biochem Labs
tert-Butyl2,4,5-trifluorobenzoate 95%
5 g
$ 800.00

Total 2 raw suppliers

Chemical Property of Tert-butyl 2,4,5-trifluorobenzoate

Chemical Property:

PSA：26.30000
LogP:3.05920
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:232.07111408
Heavy Atom Count:16
Complexity:262

Purity/Quality:: tert-Butyl 2,4,5-trifluorobenzoate 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)C1=CC(=C(C=C1F)F)F

Technology Process of Tert-butyl 2,4,5-trifluorobenzoate

There total 3 articles about Tert-butyl 2,4,5-trifluorobenzoate 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: 93.0%

: 24424-99-5
di-tert-butyl dicarbonate

: 446-17-3
2,4,5-trifluorobenzoic acid

: 182875-05-4
tert-butyl 2,4,5-trifluorobenzoate

Guidance literature:: dmap; In tert-butyl alcohol; at 30 ℃; for 16h; Inert atmosphere;

Reference yield: 93.0%

: 446-17-3
2,4,5-trifluorobenzoic acid

: 75-65-0
tert-butyl alcohol

: 182875-05-4
tert-butyl 2,4,5-trifluorobenzoate

Guidance literature:: With dmap; di-tert-butyl dicarbonate; at 30 ℃; for 16h; Inert atmosphere;

Reference yield: 53.0%

: 88419-56-1
2,4,5-trifluorobenzoyl chloride

: 75-65-0
tert-butyl alcohol

: 182875-05-4
tert-butyl 2,4,5-trifluorobenzoate

Guidance literature:: With dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); sodium t-butanolate; In neat (no solvent); at 100 ℃; for 1h; Inert atmosphere; Microwave irradiation;
DOI:10.1016/j.tetlet.2019.07.027