Methyl 3-bromo-4-tert-butylbenzoate

Base Information

Chemical Name:Methyl 3-bromo-4-tert-butylbenzoate
CAS No.:14034-08-3
Molecular Formula:C12H15BrO2
Molecular Weight:271.154
Hs Code.:
European Community (EC) Number:604-180-7
DSSTox Substance ID:DTXSID40474761
Mol file:14034-08-3.mol

Synonyms:Methyl 3-bromo-4-(tert-butyl)benzoate;14034-08-3;methyl 3-bromo-4-tert-butylbenzoate;Methyl3-bromo-4-(tert-butyl)benzoate;SCHEMBL2240131;DTXSID40474761;KXCQBZYCOHEWHO-UHFFFAOYSA-N;methyl 3-bromo-4-t-butylbenzoate;MFCD09966022;AKOS015852367;Methyl 3-bromo-4-tert-butyl-benzoate;CS-W007018;DS-4728;FT-0775184;I11565;A885873

Suppliers and Price of Methyl 3-bromo-4-tert-butylbenzoate

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

Crysdot
Methyl3-bromo-4-(tert-butyl)benzoate 95+%
1g
$ 253.00

Chemenu
methyl3-bromo-4-(tert-butyl)benzoate 95%
1g
$ 239.00

Chemcia Scientific
3-Bromo-4-tert-butyl-benzoicacidmethylester 95%
1 G
$ 350.00

American Custom Chemicals Corporation
METHYL-3-BROMO-4-TERT-BUTYLBENZOATE 95.00%
5MG
$ 499.97

Alichem
Methyl3-bromo-4-(tert-butyl)benzoate
1g
$ 249.90

Total 11 raw suppliers

Chemical Property of Methyl 3-bromo-4-tert-butylbenzoate

Chemical Property:

Vapor Pressure:0.001mmHg at 25°C
Melting Point:113-115 °C
Boiling Point:304.077°C at 760 mmHg
Flash Point:137.701°C
PSA：26.30000
Density:1.29g/cm³
LogP:3.53320
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:270.02554
Heavy Atom Count:15
Complexity:232

Purity/Quality:

97% ^*data from raw suppliers

Methyl3-bromo-4-(tert-butyl)benzoate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=C(C=C(C=C1)C(=O)OC)Br

Technology Process of Methyl 3-bromo-4-tert-butylbenzoate

There total 3 articles about Methyl 3-bromo-4-tert-butylbenzoate 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: 88.0%

: 67-56-1
methanol

: 38473-89-1
3-bromo-4-(tert-butyl)benzoic acid

: 14034-08-3
methyl 3-bromo-4-(tert-butyl)benzoate

Guidance literature:: With sulfuric acid; for 2h; Reflux;
DOI:10.1021/jacs.6b02867

Reference yield: 68.0%

: 38473-89-1
3-bromo-4-(tert-butyl)benzoic acid

: 74-88-4
methyl iodide

: 14034-08-3
methyl 3-bromo-4-(tert-butyl)benzoate

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

Reference yield:

: 98-73-7
4-(1,1-dimethylethyl)benzoic acid

: 14034-08-3
methyl 3-bromo-4-(tert-butyl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 44 percent / Br₂, AgNO₃, AcOH, Ac₂O, conc. HNO₃ / H₂O / 1.) RT, 30 min, 2.) from RT to boiling, 1 h

2: conc. H₂SO₄ / 8 h / Heating

With sulfuric acid; bromine; nitric acid; acetic anhydride; silver nitrate; acetic acid; In water;