Diethyl 2,4-dibenzoylpentanedioate

Base Information

• Chemical Name: Diethyl 2,4-dibenzoylpentanedioate
• CAS No.: 21299-15-0
• Molecular Formula: C23H24 O6
• Molecular Weight: 396.44
• NSC Number: 140612
• DSSTox Substance ID: DTXSID80301027
• Nikkaji Number: J2.769.696A
• Mol file: 21299-15-0.mol

Synonyms:diethyl 2,4-dibenzoylpentanedioate;21299-15-0;NSC140612;DTXSID80301027;NSC-140612

Chemical Property of Diethyl 2,4-dibenzoylpentanedioate

Chemical Property:

• Vapor Pressure: 9.97E-12mmHg at 25°C
• Boiling Point: 540°Cat760mmHg
• Flash Point: 233.6°C
• Density: 1.177g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 396.15728848
• Heavy Atom Count: 29
• Complexity: 522

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diethyl 2,4-dibenzoylpentanedioate

There total 21 articles about Diethyl 2,4-dibenzoylpentanedioate 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: 91.0%

N,N'-dimethylbenzylamine (103-83-3) + ethyl 3-oxo-3-phenylpropionate (94-02-0) → diethyl 2,4-dibenzoylpentanedioate (21299-15-0)

Guidance literature:

With [Ru(bpz)3]2PF₆; scandium tris(trifluoromethanesulfonate); In acetonitrile; at 30 ℃; for 12h; under 760.051 Torr; Solvent; Concentration; Molecular sieve; UV-irradiation;

DOI:10.1002/asia.201200807

Reference yield: 88.0%

ethyl 3-oxo-3-phenylpropionate (94-02-0) → diethyl 2,4-dibenzoylpentanedioate (21299-15-0)

Guidance literature:

With gold(III) chloride; nitromethane; for 5h; Reflux;

DOI:10.1039/c1cc14926a

Reference yield: 86.0%

ethyl 3-oxo-3-phenylpropionate (94-02-0) + N,N-dimethyl-aniline (121-69-7,77733-26-7) → diethyl 2,4-dibenzoylpentanedioate (21299-15-0)

Guidance literature:

With tert.-butylhydroperoxide; diiron nonacarbonyl; In decane; at 25 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ol901751c

upstream raw materials:

methanol

ethyl 3-oxo-3-phenylpropionate

1-Methylpyrrolidine

N,N'-dimethylbenzylamine

Downstream raw materials:

benzoic acid ethyl ester

1,5-diphenyl-1,5-pentanedione

5-oxo-5-phenylvaleric acid

diethyl 2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate

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