Ethyl 1-(4-bromobutyl)-2-oxocyclohexane-1-carboxylate

Base Information

• Chemical Name: Ethyl 1-(4-bromobutyl)-2-oxocyclohexane-1-carboxylate
• CAS No.: 62547-82-4
• Molecular Formula: C13H21BrO3
• Molecular Weight: 305.212
• DSSTox Substance ID: DTXSID80562797
• Mol file: 62547-82-4.mol

Synonyms:Ethyl 1-(4-bromobutyl)-2-oxocyclohexane-1-carboxylate;62547-82-4;DTXSID80562797

Chemical Property of Ethyl 1-(4-bromobutyl)-2-oxocyclohexane-1-carboxylate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 304.06741
• Heavy Atom Count: 17
• Complexity: 278

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1(CCCCC1=O)CCCCBr

Technology Process of Ethyl 1-(4-bromobutyl)-2-oxocyclohexane-1-carboxylate

There total 1 articles about Ethyl 1-(4-bromobutyl)-2-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:

1,4-dibromo-butane (110-52-1) + ethyl 2-oxocyclohexane carboxylate (1655-07-8) → 1-(4-bromo-butyl)-2-oxo-cyclohexanecarboxylic acid ethyl ester (62547-82-4)

Guidance literature:

With sodium ethanolate;

Reference yield: 36.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 1-(4-bromo-butyl)-2-oxo-cyclohexanecarboxylic acid ethyl ester (62547-82-4) → C21H28O3

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium acetate; triphenylphosphine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 20 ℃; for 24h; Inert atmosphere; Irradiation;

DOI:10.1039/d0sc04399k

Reference yield:

1-(4-bromo-butyl)-2-oxo-cyclohexanecarboxylic acid ethyl ester (62547-82-4) + thiophenol (108-98-5) → 2-oxo-1-(4-phenylsulfanyl-butyl)-cyclohexanecarboxylic acid ethyl ester

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1016/S0040-4039(99)01897-3

upstream raw materials:

1,4-dibromo-butane

ethyl 2-oxocyclohexane carboxylate

Downstream raw materials:

2-(4-bromo-butyl)-cyclohexanone

ethyl 2-butylcyclohexanone-2-carboxylate

2-benzenesulfinyl-spiro[5.5]undecane-1,7-dione

1-(4-benzenesulfinyl-butyl)-2-oxo-cyclohexanecarboxylic acid ethyl ester