Ethyl 2-bromo-2-phenylpropanoate

Base Information

Chemical Name:Ethyl 2-bromo-2-phenylpropanoate
CAS No.:55004-59-6
Molecular Formula:C11H13BrO2
Molecular Weight:257.127
Hs Code.:2916399090
DSSTox Substance ID:DTXSID10396305
Nikkaji Number:J1.174.112F
Mol file:55004-59-6.mol

Synonyms:ethyl 2-bromo-2-phenylpropanoate;55004-59-6;2-bromo-2-phenylpropionic acid ethyl ester;SCHEMBL9725190;DTXSID10396305;ethyl 2-bromo-2-phenylpropionate;Ethyl-2-bromo-2-phenylpropanoate;OXUBOOPFXQOMBI-UHFFFAOYSA-N;ethyl 2-bromo-2-phenyl-propionate;MFCD02180855;FT-0716163;alpha-Bromo-alpha-methylbenzeneacetic acid ethyl ester

Suppliers and Price of Ethyl 2-bromo-2-phenylpropanoate

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

Atlantic Research Chemicals
Ethyl2-Bromo-2-phenylpropanoate 95%
1gm:
$ 562.00

American Custom Chemicals Corporation
ETHYL 2-BROMO-2-PHENYLPROPANOATE 95.00%
5MG
$ 497.92

Total 5 raw suppliers

Chemical Property of Ethyl 2-bromo-2-phenylpropanoate

Chemical Property:

Vapor Pressure:0.00312mmHg at 25°C
Refractive Index:1.533
Boiling Point:283.7°C at 760 mmHg
Flash Point:125.4°C
PSA：26.30000
Density:1,34 g/cm3
LogP:2.85980
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:256.00989
Heavy Atom Count:14
Complexity:200

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-Bromo-2-phenylpropanoate 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-bromo-2-phenylpropanoate

There total 4 articles about Ethyl 2-bromo-2-phenylpropanoate 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: 81.0%

: 2510-99-8
ethyl 2-phenylpropanoate

: 55004-59-6
2-bromo-2-phenylpropionic acid ethyl ester

Guidance literature:: ethyl 2-phenylpropanoate; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; Inert atmosphere;

With chloro-trimethyl-silane; In tetrahydrofuran; hexane; at 20 ℃; for 2h; Inert atmosphere;

With N-Bromosuccinimide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h; Inert atmosphere;
DOI:10.1021/jacs.7b05468

Reference yield:

: 492-37-5,2328-24-7
hydratropic acid

: 55004-59-6
2-bromo-2-phenylpropionic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: hydrogenchloride / water / Reflux

2.1: diisopropylamine; n-butyllithium / tetrahydrofuran; hexane / -78 °C / Inert atmosphere

2.2: 2 h / 20 °C / Inert atmosphere

2.3: 2 h / -78 - 20 °C / Inert atmosphere

With hydrogenchloride; n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; water;
DOI:10.1021/jacs.7b05468