3-OXO-5-PHENYL-PENTANOIC ACID ETHYL ESTER

Base Information

• Chemical Name: 3-OXO-5-PHENYL-PENTANOIC ACID ETHYL ESTER
• CAS No.: 17071-29-3
• Molecular Formula: C13H16 O3
• Molecular Weight: 220.268
• Hs Code.: 2918300090
• Mol file: 17071-29-3.mol

Synonyms:Valericacid, 3-oxo-5-phenyl-, ethyl ester (7CI,8CI); 3-Oxo-5-phenylpentanoic acidethyl ester; 5-Phenyl-3-oxovaleric acid ethyl ester; Ethyl3-oxo-5-phenylpentanoate; Ethyl 3-oxo-5-phenylvalerate; Ethyl5-Phenyl-3-oxopentanoate; NSC 210909; b-Oxobenzenepentanoic acid ethyl ester

Chemical Property of 3-OXO-5-PHENYL-PENTANOIC ACID ETHYL ESTER

Chemical Property:

• Vapor Pressure: 0.000637mmHg at 25°C
• Boiling Point: 309.5°Cat760mmHg
• PKA: 10.48±0.46(Predicted)
• Flash Point: 132.9°C
• PSA: 43.37000
• Density: 1.072g/cm³
• LogP: 2.14150

Purity/Quality:

99% ^*data from raw suppliers

ethyl3-oxo-5-phenylpentanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-OXO-5-PHENYL-PENTANOIC ACID ETHYL ESTER

There total 46 articles about 3-OXO-5-PHENYL-PENTANOIC 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: 95.0%

cycl-isopropylidene malonate (2033-24-1) + hydrocinnamic acid chloride (645-45-4) → ethyl 3-oxo-5-phenylpentanoate (17071-29-3)

Guidance literature:

With pyridine; In ethanol; dichloromethane; at 0 - 20 ℃; for 48.5h; Reflux;

DOI:10.1016/j.bmc.2014.11.012

Reference yield: 94.0%

benzyl bromide (100-39-0) + ethyl acetoacetate (141-97-9) → ethyl 3-oxo-5-phenylpentanoate (17071-29-3)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

DOI:10.1016/S0960-894X(02)00187-7

Reference yield: 92.0%

ethyl 3-oxo-4-(triphenylphosphoranylidene)butanoate (13148-05-5) + benzaldehyde (100-52-7) → ethyl 3-oxo-5-phenylpentanoate (17071-29-3)

Guidance literature:

With N,N-dimethyl acetamide; palladium 10% on activated carbon; hydrogen; In ethanol; water; at 20 ℃; for 18h; under 760.051 Torr; chemoselective reaction;

DOI:10.1021/acs.orglett.0c01874

upstream raw materials:

2-acetyl-3-oxo-5-phenyl-valeric acid ethyl ester

ethyl 3-oxo-5-phenyl-4-pentenoate

tert-Butyl ethyl malonate

magnesium ethylate

Downstream raw materials:

6-ethylphenyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

1-amino-4-phenylbutan-2-one

2-Benzyl-4-hydroxy-3-methyl-2-cyclopentenone

benzyl 3-oxo-5-phenylpentanoate