Ethyl 2-benzoyl-3-oxo-3-phenylpropionate

Base Information

• Chemical Name: Ethyl 2-benzoyl-3-oxo-3-phenylpropionate
• CAS No.: 4850-82-2
• Molecular Formula: C18H16 O4
• Molecular Weight: 296.323
• European Community (EC) Number: 225-442-3
• NSC Number: 631498,97363
• UNII: RTX9NA3M2E
• DSSTox Substance ID: DTXSID00197545
• Nikkaji Number: J262.490G
• Wikidata: Q83070388
• Mol file: 4850-82-2.mol

Synonyms:4850-82-2;Ethyl 2-benzoyl-3-oxo-3-phenylpropionate;Ethyl 2-benzoyl-3-oxo-3-phenylpropanoate;RTX9NA3M2E;EINECS 225-442-3;NSC-97363;NSC631498;Dibenzoylacetic acid, ethyl ester;UNII-RTX9NA3M2E;DTXSID00197545;NSC97363;NSC 97363;NSC-631498;ethyl 2-benzoyl-3-oxo-3-phenyl-propanoate;Ethyl alpha-benzoyl-beta-oxobenzenepropanoate;alpha-Benzoyl-beta-oxobenzenepropanoic acid ethyl ester;Benzenepropanoic acid, alpha-benzoyl-beta-oxo-, ethyl ester

Chemical Property of Ethyl 2-benzoyl-3-oxo-3-phenylpropionate

Chemical Property:

• Vapor Pressure: 1.06E-07mmHg at 25°C
• Boiling Point: 433°Cat760mmHg
• Flash Point: 190.9°C
• PSA: 60.44000
• Density: 1.184g/cm³
• LogP: 2.93150
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 296.10485899
• Heavy Atom Count: 22
• Complexity: 373

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2

Technology Process of Ethyl 2-benzoyl-3-oxo-3-phenylpropionate

There total 9 articles about Ethyl 2-benzoyl-3-oxo-3-phenylpropionate 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: 80.0%

ethyl 3-oxo-3-phenylpropionate (94-02-0) + benzoyl chloride (98-88-4) → ethyl 2-benzoyl-3-oxo-3-phenylpropionate (4850-82-2)

Guidance literature:

With samarium(III) chloride; triethylamine; In toluene; at 20 ℃; for 1h;

DOI:10.1021/ol701961z

Reference yield:

1-(6-methyl-[2]pyridyl)-pentan-2-one; picrate + benzoyl chloride (98-88-4) → ethyl 2-benzoyl-3-oxo-3-phenylpropionate (4850-82-2)

Guidance literature:

With diethyl ether;

Reference yield:

benzoyl cyanide (613-90-1) + ethyl 3-oxo-3-phenylpropionate (94-02-0) → ethyl 2-benzoyl-3-oxo-3-phenylpropionate (4850-82-2)

Guidance literature:

With N,N-dimethyl-aniline;

DOI:10.1007/BF03166126

upstream raw materials:

quinoline

ethyl 3-oxo-3-phenylpropionate

benzoyl chloride

benzoyl cyanide

Downstream raw materials:

3,5-diphenyl-isoxazole-4-carboxylic acid

(Z)-3-hydroxy-1,3-diphenyl-2-propen-1-one

ethyl 3,5-diphenylisoxazole-4-carboxylate

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