Ethyl 4-oxo-5-phenylpentanoate

Base Information

• Chemical Name: Ethyl 4-oxo-5-phenylpentanoate
• CAS No.: 20416-11-9
• Molecular Formula: C13H16O3
• Molecular Weight: 220.268
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID70340869
• Nikkaji Number: J62.855G
• Wikidata: Q82110733
• Mol file: 20416-11-9.mol

Synonyms:Ethyl 4-oxo-5-phenylpentanoate;20416-11-9;Levulinic acid, 5-phenyl-, ethyl ester;4-Oxo-5-phenylpentanoic acid ethyl ester;Ethyl4-oxo-5-phenylpentanoate;SCHEMBL10646715;ethyl 4-oxo-5-phenyl-pentanoate;DTXSID70340869;5-Phenyllevulinic acid ethyl ester;Ethyl 4-oxo-5-phenylpentanoate #;AKOS010910114;EN300-101050;Z838956766

Chemical Property of Ethyl 4-oxo-5-phenylpentanoate

Chemical Property:

• PSA: 43.37000
• LogP: 2.14150
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

ethyl4-oxo-5-phenylpentanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC(=O)CC1=CC=CC=C1

Technology Process of Ethyl 4-oxo-5-phenylpentanoate

There total 7 articles about Ethyl 4-oxo-5-phenylpentanoate 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: 73.0%

ethyl 3-(3-phenyl-2-oxiranyl)propanoate → dihydro-5-(hydroxy(phenyl)methyl)furan-2(3H)-one + Ethyl 4-oxo-5-phenyl-pentanoate (20416-11-9)

Guidance literature:

With tin(IV) triflimidate; In nitromethane; at 60 ℃; for 7h;

DOI:10.1016/j.tetlet.2009.03.055

Reference yield: 62.0%

5-diazo-4-oxo-valeric acid ethyl ester (61844-36-8) + phenyl copper (3220-49-3) → Ethyl 4-oxo-5-phenyl-pentanoate (20416-11-9) + succinic acid diethyl ester (123-25-1)

Guidance literature:

for 1h; Ambient temperature;

DOI:10.1007/BF00809439

Reference yield: 56.0%

ethyl 3-(chloroformyl)propionate (14794-31-1,97900-84-0) + benzylmagnesium chloride (6921-34-2) → Ethyl 4-oxo-5-phenyl-pentanoate (20416-11-9)

Guidance literature:

With copper(l) iodide; In tetrahydrofuran; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1002/anie.201400946

upstream raw materials:

5-diazo-4-oxo-valeric acid ethyl ester

phenyl copper

ethanol

ethyl 3-(chloroformyl)propionate

Downstream raw materials:

C₁₄H₁₆O₄

(R)-5-benzyl-5-(iodomethyl)dihydrofuran-2(3H)-one

(S)-methyl 2-benzyltetrahydrofuran-2-carboxylate

(S)-5-benzyl-5-(hydroxymethyl)dihydrofuran-2(3H)-one

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