α-benzoylacetoacetic acid ethyl ester

Base Information

• Chemical Name: α-benzoylacetoacetic acid ethyl ester
• CAS No.: 86969-12-2
• Molecular Formula: C₁₃H₁₄O₄
• Molecular Weight: 234.252
• Mol file: 86969-12-2.mol

Synonyms:α-benzoylacetoacetic acid ethyl ester

Chemical Property of α-benzoylacetoacetic acid ethyl ester

Chemical Property:

Purity/Quality:

Safty Information:

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• Hazard Codes: 

MSDS Files:

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Technology Process of α-benzoylacetoacetic acid ethyl ester

There total 9 articles about α-benzoylacetoacetic acid ethyl ester 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: 85.0%

benzoic acid ethyl ester (93-89-0,99341-95-4) + ethyl acetoacetate (141-97-9) → α-benzoylacetoacetic acid ethyl ester (86969-12-2)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; lithium diisopropyl amide; In diethyl ether; for 18h; Ambient temperature;

DOI:10.1021/jo00170a012

Reference yield: 75.0%

Benzoylacetonitrile (614-16-4) + ethyl bromoacetate (105-36-2) → α-benzoylacetoacetic acid ethyl ester (86969-12-2)

Guidance literature:

Benzoylacetonitrile; ethyl bromoacetate; With chloro-trimethyl-silane; zinc; In tetrahydrofuran; for 4h; Inert atmosphere; Reflux;

With hydrogenchloride; In tetrahydrofuran; water; at 0 - 30 ℃; for 0.5h; pH=2; regioselective reaction; Inert atmosphere;

DOI:10.1055/s-0035-1561662

Reference yield: 66.0%

benzoyl chloride (98-88-4) + 1-ethoxy-1,3-bis[(trimethylsilyl)oxy]buta-1,3-diene (89186-81-2) → α-benzoylacetoacetic acid ethyl ester (86969-12-2)

Guidance literature:

In dichloromethane; at -78 - 20 ℃;

DOI:10.1021/jo062153w

upstream raw materials:

benzoic acid ethyl ester

ethyl acetoacetate

benzoic acid methyl ester

benzoyl chloride

Downstream raw materials:

5-oxo-5-phenylpentanenitrile

5-Cyano-6-methyl-2-(2-oxo-2-phenyl-ethyl)-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester

(3S,4S)-4-(2,3-Dichloro-phenyl)-6-methyl-2-[2-oxo-2-phenyl-eth-(Z)-ylidene]-1,2,3,4-tetrahydro-pyridine-3,5-dicarboxylic acid diethyl ester

(3S,4R)-6-Methyl-4-(2-nitro-phenyl)-2-[2-oxo-2-phenyl-eth-(Z)-ylidene]-1,2,3,4-tetrahydro-pyridine-3,5-dicarboxylic acid diethyl ester