Ethyl 3-(4-bromophenyl)-3-oxopropanoate

Base Information

• Chemical Name: Ethyl 3-(4-bromophenyl)-3-oxopropanoate
• CAS No.: 26510-95-2
• Molecular Formula: C11H11BrO3
• Molecular Weight: 271.111
• Hs Code.: 29183000
• European Community (EC) Number: 673-424-2
• DSSTox Substance ID: DTXSID10949375
• Wikidata: Q72473130
• Mol file: 26510-95-2.mol

Synonyms:26510-95-2;ethyl 3-(4-bromophenyl)-3-oxopropanoate;Ethyl (4-bromobenzoyl)acetate;Ethyl 3-(4-bromophenyl)-3-oxo-propionate;Benzenepropanoic acid, 4-bromo-beta-oxo-, ethyl ester;3-(4-bromo-phenyl)-3-oxo-propionic acid ethyl ester;C11H11BrO3;3-(4-Bromophenyl)-3-oxo-propionic acid ethylester;MFCD00231243;ethyl 4-bromobenzoylacetate;3-(4-Bromo-phenyl)-3-oxo-propionic acid ethylester;SCHEMBL13634;C11-H11-Br-O3;DTXSID10949375;PBDYXCKRDRCJDC-UHFFFAOYSA-N;AMY14622;AB2833;AKOS009259659;CS-W007561;(4-Bromobenzoyl)acetic Acid Ethyl Ester;AC-29817;Ethyl 3-(4-Bromophenyl)-3-oxopropionate;SY017251;Ethyl (4-bromobenzoyl)acetate, >=95.0%;E1117;FT-0638613;A22282;3-(4-bromophenyl)-3-oxopropanoic acid ethyl ester;3-(4-Bromophenyl)-3-oxopropionic Acid Ethyl Ester;J-016455;Bis(p-octyloxybenzylidene)2-chloro-1,4-phenylenediamine

Chemical Property of Ethyl 3-(4-bromophenyl)-3-oxopropanoate

Chemical Property:

• Appearance/Colour: Clear yellow to light brown liquid
• Vapor Pressure: 0.000146mmHg at 25°C
• Refractive Index: n20/D 1.5700(lit.)
• Boiling Point: 332.457 °C at 760 mmHg
• PKA: 9.56±0.25(Predicted)
• Flash Point: 154.865 °C
• PSA: 43.37000
• Density: 1.426 g/cm³
• LogP: 2.58500
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 269.98916
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-(4-bromophenyl)-3-oxo-propionate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)Br
• Uses: Ethyl 3-(4-bromophenyl)-3-oxo-propionate Ethyl (4-bromobenzoyl)acetate may be used to synthesize 2-(carboethoxy)-3-(4′-bromo)phenylquinoxaline 1,4-dioxide.

Technology Process of Ethyl 3-(4-bromophenyl)-3-oxopropanoate

There total 17 articles about Ethyl 3-(4-bromophenyl)-3-oxopropanoate 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: 96.0%

para-bromoacetophenone (99-90-1) + Diethyl carbonate (105-58-8,76619-83-5) → ethyl 4-Bromobenzoylacetate (26510-95-2)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; Reflux;

DOI:10.1002/ejoc.201700868

Reference yield: 95.0%

ethyl-3-hydroxy-2-diazo-3-(4-bromophenyl)-propanoate (239094-36-1) → ethyl 4-Bromobenzoylacetate (26510-95-2)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; In neat (no solvent); at 20 ℃; for 5h;

DOI:10.1039/c3ra41920g

Reference yield: 92.0%

ethyl acetate (141-78-6) + 4-chlorobenzoyl chloride (586-75-4) → ethyl 4-Bromobenzoylacetate (26510-95-2)

Guidance literature:

ethyl acetate; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃;

4-chlorobenzoyl chloride; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1016/j.ejmech.2016.12.023

upstream raw materials:

para-bromoacetophenone

Diethyl carbonate

diazoacetic acid ethyl ester

4-bromo-benzaldehyde

Downstream raw materials:

3-(4-bromo-phenyl)-3-thiosemicarbazono-propionic acid ethyl ester

2-(4-bromo-phenyl)-quinolin-4-ol

2-(4-bromo-phenyl)-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester

2,6-bis-(4-bromo-phenyl)-benzo[1,2-b;4,5-b']difuran-3,7-dicarboxylic acid diethyl ester