Ethyl 3-bromo-4-oxopentanoate

Base Information

• Chemical Name: Ethyl 3-bromo-4-oxopentanoate
• CAS No.: 54260-84-3
• Molecular Formula: C7H11BrO3
• Molecular Weight: 223.067
• Hs Code.: 2918300090
• European Community (EC) Number: 817-910-6
• DSSTox Substance ID: DTXSID20513344
• Mol file: 54260-84-3.mol

Synonyms:Ethyl 3-bromo-4-oxopentanoate;54260-84-3;3-bromo-4-oxo-pentanoic acid ethyl ester;Pentanoic acid, 3-bromo-4-oxo-, ethyl ester;Ethyl3-bromo-4-oxopentanoate;SCHEMBL3069909;DTXSID20513344;JMBHNRDFFCWPHT-UHFFFAOYSA-N;AKOS015843365;EN300-211894

Chemical Property of Ethyl 3-bromo-4-oxopentanoate

Chemical Property:

• Boiling Point: 97-103 °C(Press: 6 Torr)
• PSA: 43.37000
• Density: 1.409±0.06 g/cm3(Predicted)
• LogP: 1.29210
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 221.98916
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

ethyl3-bromo-4-oxopentanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Ethyl 3-bromo-4-oxopentanoate

There total 4 articles about Ethyl 3-bromo-4-oxopentanoate 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:

ethanol (64-17-5) + levulinic acid (123-76-2) → ethyl 5-bromo-4-oxopentanoate (14594-25-3) + ethyl 3-bromo-4-oxopentanoate (54260-84-3) + 4-oxopentanoic acid ethyl ester (539-88-8) + 3,5-Dibromo-4-oxo-pentanoic acid ethyl ester (6299-05-4)

Guidance literature:

With hydrogen bromide; bromine; acetic acid; In chloroform; Further byproducts given; 1.) 50 deg C, 0.5 h, 2.) reflux, 1 h;

DOI:10.1016/S0040-4020(97)10034-5

Reference yield:

ethanol (64-17-5) + levulinic acid (123-76-2) → 3-bromolevulinic acid (62557-43-1) + 5-bromolaevulinic acid (14594-23-1) + ethyl 5-bromo-4-oxopentanoate (14594-25-3) + ethyl 3-bromo-4-oxopentanoate (54260-84-3) + 4-oxopentanoic acid ethyl ester (539-88-8) + 3,5-Dibromo-4-oxo-pentanoic acid ethyl ester (6299-05-4)

Guidance literature:

With hydrogen bromide; bromine; acetic acid; In chloroform; Product distribution; 1.) 50 deg C, 0.5 h, 2.) reflux, 1 h; various reactants ratio;

DOI:10.1016/S0040-4020(97)10034-5

Reference yield:

ethanol (64-17-5) + levulinic acid (123-76-2) → 3,5-dibromolevulinic acid (1775-46-8) + ethyl 3-bromo-4-oxopentanoate (54260-84-3) + 3,5,5-tribromo-4-oxopentanoic acid + 3,5-Dibromo-4-oxo-pentanoic acid ethyl ester (6299-05-4) + 5,5-Dibromo-4-oxo-pentanoic acid ethyl ester + 3,5,5-Tribromo-4-oxo-pentanoic acid ethyl ester

Guidance literature:

With hydrogen bromide; bromine; acetic acid; In chloroform; Product distribution; 1.) 50 deg C, 0.5 h, 2.) reflux, 1 h; various reactants ratio;

DOI:10.1016/S0040-4020(97)10034-5

upstream raw materials:

ethanol

levulinic acid

Downstream raw materials:

(4-methyl-2-thioxo-2,3-dihydro-thiazol-5-yl)-acetic acid ethyl ester

(4-Methyl-2-phenyl-5-thiazolyl)essigsaeure-ethylester

[4-methyl-2-(3-methyl-anilino)-thiazol-5-yl]-acetic acid ethyl ester

[4-methyl-2-(4-methyl-anilino)-thiazol-5-yl]-acetic acid ethyl ester