Ethyl 3-bromo-2-oxopentanoate

Base Information

• Chemical Name: Ethyl 3-bromo-2-oxopentanoate
• CAS No.: 113264-43-0
• Molecular Formula: C7H11BrO3
• Molecular Weight: 223.067
• European Community (EC) Number: 865-452-0
• Mol file: 113264-43-0.mol

Synonyms:Ethyl 3-bromo-2-oxopentanoate;113264-43-0;Ethyl3-bromo-2-oxopentanoate;SCHEMBL112412;ethyl 3-bromo-2-oxo-pentanoate;NLBXGRQESZKPTO-UHFFFAOYSA-N;MFCD14706045;AKOS015917780;DS-8852;3-bromo-2-oxo-pentanoic acid ethyl ester;F10248;EN300-1587898;A894456

Chemical Property of Ethyl 3-bromo-2-oxopentanoate

Chemical Property:

• Vapor Pressure: 0.059mmHg at 25°C
• Boiling Point: 232.307oC at 760 mmHg
• Flash Point: 94.296oC
• PSA: 43.37000
• LogP: 1.29210
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• 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-2-oxopentanoate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)C(=O)OCC)Br

Technology Process of Ethyl 3-bromo-2-oxopentanoate

There total 5 articles about Ethyl 3-bromo-2-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: 100.0%

ethyl 2-oxovalerate (50461-74-0) → 3-bromo-2-oxo-pentanoic acid ethyl ester (113264-43-0)

Guidance literature:

With bromine;

DOI:10.1021/jm040843r

Reference yield: 64.0%

ethyl 2-hydroxy-n-valerate (88945-70-4,115626-59-0,126372-01-8,6938-26-7) → 3-bromo-2-oxo-pentanoic acid ethyl ester (113264-43-0)

Guidance literature:

With bromine; In tetrachloromethane;

Reference yield:

ethyl acetate (141-78-6) + 2-oxopentanoic acid (1821-02-9) → 3-bromo-2-oxo-pentanoic acid ethyl ester (113264-43-0)

Guidance literature:

2-oxopentanoic acid; With sulfuric acid; In ethanol; Reflux;

ethyl acetate; With copper(ll) bromide; In chloroform; Reflux;

DOI:10.1016/j.bmcl.2009.07.030

upstream raw materials:

ethyl 2-oxovalerate

ethyl 2-hydroxy-n-valerate

ethyl acetate

2-oxopentanoic acid

Downstream raw materials:

ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethyl-1H-imidazole-4-carboxylic acid

ethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate

5-ethyl-imidazo[2,1-b]thiazole-6-carboxylic acid ethyl ester

Refernces

• 1、 -. "BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS". Page/Page column 200; 232. . Retrieved 2021/04/17.
• 2、 -. "AMINOAZOLE DERIVATIVE". Paragraph 0186-0191. . Retrieved 2019/02/09.