Ethyl 2-(benzoyloxy)-3-oxobutanoate

Base Information

• Chemical Name: Ethyl 2-(benzoyloxy)-3-oxobutanoate
• CAS No.: 4620-46-6
• Molecular Formula: C13H14O5
• Molecular Weight: 250.24700
• Hs Code.: 2916310090
• DSSTox Substance ID: DTXSID30547099
• Nikkaji Number: J2.224.311J
• Mol file: 4620-46-6.mol

Synonyms:4620-46-6;ETHYL 2-(BENZOYLOXY)-3-OXOBUTANOATE;(1-ethoxy-1,3-dioxobutan-2-yl) benzoate;Butanoic acid, 2-(benzoyloxy)-3-oxo-, ethyl ester;1-Ethoxy-1,3-dioxobutan-2-yl benzoate;DTXSID30547099;ETHYL2-(BENZOYLOXY)-3-OXOBUTANOATE;EN300-136944;(3,4-DIMETHYL-PHENOXY)-ACETICACIDHYDRAZIDE

Chemical Property of Ethyl 2-(benzoyloxy)-3-oxobutanoate

Chemical Property:

• PSA: 69.67000
• LogP: 1.36410
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 250.08412354
• Heavy Atom Count: 18
• Complexity: 317

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(=O)C)OC(=O)C1=CC=CC=C1

Technology Process of Ethyl 2-(benzoyloxy)-3-oxobutanoate

There total 6 articles about Ethyl 2-(benzoyloxy)-3-oxobutanoate 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: 75.0%

ethyl 2-diazo-3-oxobutanoate (2009-97-4) + benzoic acid (65-85-0,8013-63-6) → benzoic acid 1-ethoxycarbonyl-2-oxopropyl ester (4620-46-6)

Guidance literature:

dirhodium tetraacetate; In dichloromethane; at 40 ℃;

DOI:10.1055/s-2005-869952

Reference yield: 65.0%

Potassium benzoate (582-25-2) + ethyl 2-chloro-3-oxo-butyrate (609-15-4) → benzoic acid 1-ethoxycarbonyl-2-oxopropyl ester (4620-46-6)

Guidance literature:

With tetrabutylammomium bromide; In benzene; for 3h; Heating;

DOI:10.1246/bcsj.59.3185

Reference yield: 11.0%

ethyl acetoacetate (141-97-9) + benzoic acid (65-85-0,8013-63-6) → benzoic acid 1-ethoxycarbonyl-2-oxopropyl ester (4620-46-6)

Guidance literature:

With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide; In water; acetonitrile; at 60 ℃; for 6h;

DOI:10.3998/ark.5550190.0013.913

upstream raw materials:

sodium benzoate

ethyl 2-bromoacetoacetate

Potassium benzoate

ethyl 2-chloro-3-oxo-butyrate

Downstream raw materials:

ethyl (2R,3S)-benzoyloxy-3-hydroxybutanoate

ethyl (2S,3S)-benzoyloxy-3-hydroxybutanoate

Ethyl 4-methyl-2-phenyloxazole-5-carboxylate

4-ethyl-2-phenyloxazole-5-carboxylic acid