Tert-butyl 4-bromobenzoate

Base Information

Chemical Name:Tert-butyl 4-bromobenzoate
CAS No.:59247-47-1
Molecular Formula:C11H13BrO2
Molecular Weight:257.127
Hs Code.:2916399090
European Community (EC) Number:676-369-2
DSSTox Substance ID:DTXSID20462722
Nikkaji Number:J397.264J
Mol file:59247-47-1.mol

Synonyms:Tert-butyl 4-bromobenzoate;59247-47-1;TERT-BUTYL-4-BROMOBENZOATE;Benzoic acid, 4-bromo-, 1,1-dimethylethyl ester;4-BROMO-BENZOIC ACID TERT-BUTYL ESTER;MFCD00093266;Tert-butyl4-bromobenzoate;4-Bromobenzoic Acid tert-Butyl Ester;t-butyl p-bromobenzoate;t-butyl 4-bromobenzoate;tert.-butyl 4-bromobenzoate;tert-Butyl-4-bromo-benzoate;SCHEMBL277667;DTXSID20462722;BFJJYXUCGYOXDM-UHFFFAOYSA-N;BCP27438;4-bromo benzoic acid tert-butyl ester;4-bromobenzoic acid tert.-butyl ester;AKOS013212843;AB03329;GS-6859;4-Bromo-benzoic acid tert.-butyl ester;SY036389;AM20040797;CS-0040641;FT-0602448;A15674;EN300-332847;J-524840

Suppliers and Price of Tert-butyl 4-bromobenzoate

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
tert-Butyl4-Bromobenzoate
25g
$ 1230.00

Labseeker
tert-butyl4-bromobenzoate 98
25g
$ 1150.00

J&W Pharmlab
4-Bromo-benzoicacidtert-butylester 97%
1g
$ 20.00

J&W Pharmlab
4-Bromo-benzoicacidtert-butylester 97%
5g
$ 66.00

J&W Pharmlab
4-Bromo-benzoicacidtert-butylester 97%
25g
$ 240.00

J&W Pharmlab
4-Bromo-benzoicacidtert-butylester 97%
100g
$ 830.00

Crysdot
tert-Butyl4-bromobenzoate 97%
100g
$ 713.00

Crysdot
tert-Butyl4-bromobenzoate 97%
25g
$ 238.00

Biosynth Carbosynth
tert-Butyl 4-bromobenzoate
25 g
$ 600.00

Biosynth Carbosynth
tert-Butyl 4-bromobenzoate
10 g
$ 280.00

Total 66 raw suppliers

Chemical Property of Tert-butyl 4-bromobenzoate

Chemical Property:

Vapor Pressure:0.00139mmHg at 25°C
Refractive Index:1.529
Boiling Point:297 °C at 760 mmHg
Flash Point:133.4 °C
PSA：26.30000
Density:1.331 g/cm³
LogP:3.40440
Storage Temp.:Keep in dark place,Sealed in dry,Room Temperature
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:256.00989
Heavy Atom Count:14
Complexity:200

Purity/Quality:

99%, ^*data from raw suppliers

tert-Butyl4-Bromobenzoate ^*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=C1)Br
Uses 4-bromo substituted benzoic acid derivative, tert-Butyl-4-broMobenzoate can be used as a building block for the synthesis of various biologically active compounds.

Technology Process of Tert-butyl 4-bromobenzoate

There total 19 articles about Tert-butyl 4-bromobenzoate 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: 100.0%

: 865-47-4
potassium tert-butylate

: 586-75-4
4-chlorobenzoyl chloride

: 59247-47-1
tert-butyl-4-bromobenzoate

Guidance literature:: In tetrahydrofuran; at 0 - 20 ℃; for 2h; Inert atmosphere;
DOI:10.1039/c5ra26310g

Reference yield: 98.0%

: 106-37-6
1.4-dibromobenzene

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

: 59247-47-1
tert-butyl-4-bromobenzoate

Guidance literature:: 1.4-dibromobenzene; With n-butyllithium; butyl magnesium bromide; In tetrahydrofuran; hexane; toluene; at -5 ℃;

di-tert-butyl dicarbonate; In tetrahydrofuran; hexane; toluene; at -5 ℃;

With citric acid; In tetrahydrofuran; hexane; toluene; Further stages.;
DOI:10.1016/j.tetlet.2007.12.134