ETHYL 5-OXO-5-PHENYLVALERATE

Base Information

• Chemical Name: ETHYL 5-OXO-5-PHENYLVALERATE
• CAS No.: 73172-56-2
• Molecular Formula: C13H16O3
• Molecular Weight: 220.268
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID70400139
• Nikkaji Number: J535.852C
• Wikidata: Q82202977
• Mol file: 73172-56-2.mol

Synonyms:ETHYL 5-OXO-5-PHENYLVALERATE

Chemical Property of ETHYL 5-OXO-5-PHENYLVALERATE

Chemical Property:

• Vapor Pressure: 0.000108mmHg at 25°C
• Boiling Point: 337.1°C at 760 mmHg
• Flash Point: 147.4°C
• PSA: 43.37000
• Density: 1.064g/cm³
• LogP: 2.60270
• XLogP3: 2.1
• 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

ETHYL 5-OXO-5-PHENYLVALERATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCC(=O)C1=CC=CC=C1

Technology Process of ETHYL 5-OXO-5-PHENYLVALERATE

There total 41 articles about ETHYL 5-OXO-5-PHENYLVALERATE 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: 99.0%

1-phenyl-1-(tributylstannyloxy)ethene (17851-98-8) + ethyl acrylate (140-88-5,9003-32-1) → ethyl 4-benzoylbutanoate (73172-56-2)

Guidance literature:

With tetrabutylammomium bromide; In tetrahydrofuran; for 12h; Heating;

DOI:10.1021/ja028853+

Reference yield: 98.0%

1,3-diphenylpropanedione (120-46-7,61346-73-4) + ethyl acrylate (140-88-5,9003-32-1) → ethyl 4-benzoylbutanoate (73172-56-2)

Guidance literature:

With potassium carbonate; In ethanol; at 85 ℃; for 2h; Reagent/catalyst; Sealed tube;

DOI:10.1039/c5ob02570b

Reference yield: 96.0%

1-azidostyrene (16717-64-9) + 1-ethoxy-1-cyclopropanol (13837-45-1) → ethyl 4-benzoylbutanoate (73172-56-2)

Guidance literature:

With manganese(III) acetylacetonate; In ethanol; at 20 ℃; for 0.0833333h; Inert atmosphere;

DOI:10.1021/ja200879w

upstream raw materials:

ethanol

5-oxo-5-phenylvaleric acid

1-styrenyloxytrimethylsilane

triethyl orthoacrylate

Downstream raw materials:

(+/-)-5-hydroxy-5-phenyl-hexanoic acid

ethyl 4-bromo-5-oxo-5-phenylpentanoate

ethyl 5-phenylpentanoate

1-phenylpentane-1,5-diol

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