Ethyl 3-bromo-4-oxocyclohexane-1-carboxylate

Base Information

Chemical Name:Ethyl 3-bromo-4-oxocyclohexane-1-carboxylate
CAS No.:39086-05-0
Molecular Formula:C9H13BrO3
Molecular Weight:249.104
Hs Code.:
European Community (EC) Number:875-480-5
DSSTox Substance ID:DTXSID50512926
Mol file:39086-05-0.mol

Synonyms:39086-05-0;Ethyl 3-bromo-4-oxocyclohexane-1-carboxylate;ETHYL 3-BROMO-4-OXOCYCLOHEXANECARBOXYLATE;Cyclohexanecarboxylic acid, 3-bromo-4-oxo-, ethyl ester;SCHEMBL407916;3-bromo-4-ketocyclohexanecarboxylic acid ethyl ester;DTXSID50512926;IGOWSOGBQMBHIY-UHFFFAOYSA-N;MFCD11975647;AKOS026730555;PB42712;PS-16400;ethyl 3-bromo-4-oxo-cyclohexanecarboxylate;CS-0049491;ETHYL3-BROMO-4-OXOCYCLOHEXANECARBOXYLATE;P18299;EN300-1724118;3-Bromo-4-oxo-cyclohexanecarboxylic acid ethyl ester;3-bromo-4-oxo-cyclohexane carboxylic acid ethyl ester;F8881-7878

Suppliers and Price of Ethyl 3-bromo-4-oxocyclohexane-1-carboxylate

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

American Custom Chemicals Corporation
ETHYL 3-BROMO-4-OXOCYCLOHEXANECARBOXYLATE 95.00%
5MG
$ 505.92

AK Scientific
Ethyl3-bromo-4-oxocyclohexane-1-carboxylate
500mg
$ 671.00

Total 7 raw suppliers

Chemical Property of Ethyl 3-bromo-4-oxocyclohexane-1-carboxylate

Chemical Property:

PSA：43.37000
LogP:1.68220
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:248.00481
Heavy Atom Count:13
Complexity:215

Purity/Quality:

99%, ^*data from raw suppliers

ETHYL 3-BROMO-4-OXOCYCLOHEXANECARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1CCC(=O)C(C1)Br
Uses Ethyl 3-Bromo-4-oxocyclohexane-1-carboxylate is a reagent in the process development of Pramipexole used in parkinson disease therapy.

Technology Process of Ethyl 3-bromo-4-oxocyclohexane-1-carboxylate

There total 4 articles about Ethyl 3-bromo-4-oxocyclohexane-1-carboxylate 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: 98.0%

: 17159-79-4
ethyl 4-oxocyclohexane-1-carboxylate

: 39086-05-0
ethyl 3-bromo-4-oxocyclohexanecarboxylate

Guidance literature:: With N-Bromosuccinimide; toluene-4-sulfonic acid; In toluene; for 2h; Reflux;

Reference yield:

: 120-47-8
Ethyl 4-hydroxybenzoate

: 39086-05-0
ethyl 3-bromo-4-oxocyclohexanecarboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: H₂ / Ru/C / ethanol / 120 °C / 75005.9 Torr

2: CrO₃, H₂SO₄ / acetone; H₂O

3: Br₂ / diethyl ether

With chromium(VI) oxide; sulfuric acid; hydrogen; bromine; Ru-carbon; In diethyl ether; ethanol; water; acetone;

Reference yield:

: 3618-04-0,75877-66-6,17159-80-7
4-hydroxycyclohexyl carboxylic acid ethyl ester

: 39086-05-0
ethyl 3-bromo-4-oxocyclohexanecarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: CrO₃, H₂SO₄ / acetone; H₂O

2: Br₂ / diethyl ether

With chromium(VI) oxide; sulfuric acid; bromine; In diethyl ether; water; acetone;