Ethyl 2-benzoylpentanoate

Base Information

• Chemical Name: Ethyl 2-benzoylpentanoate
• CAS No.: 24317-96-2
• Molecular Formula: C14H18 O3
• Molecular Weight: 234.295
• NSC Number: 71618
• DSSTox Substance ID: DTXSID40290887
• Nikkaji Number: J3.491.557A
• Mol file: 24317-96-2.mol

Synonyms:ethyl 2-benzoylpentanoate;24317-96-2;NSC71618;ethyl2-benzoylpentanoate;SCHEMBL12003491;DTXSID40290887;2-Benzoylpentanoic acid ethyl ester;MFCD19302967;NSC 71618;NSC-71618;AKOS015831177;AT27175;LS-06665;CS-0323900;2-propyl-3-oxo-3-phenylpropionic acid ethyl ester

Chemical Property of Ethyl 2-benzoylpentanoate

Chemical Property:

• Vapor Pressure: 0.000511mmHg at 25°C
• Boiling Point: 313°C at 760 mmHg
• Flash Point: 133.5°C
• Density: 1.046g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 234.125594432
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-benzoylpentanoate

There total 14 articles about Ethyl 2-benzoylpentanoate 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: 92.0%

2-bromo-acrylic acid ethyl ester (5459-35-8) + benzoyltrimethylsilane (5908-41-8) + diethylzinc (557-20-0) → 2-propyl-3-oxo-3-phenylpropionic acid ethyl ester (24317-96-2)

Guidance literature:

In n-heptane; dichloromethane; at 20 ℃; for 18h; Inert atmosphere;

DOI:10.1016/j.tet.2015.09.045

Reference yield: 70.0%

ethyl 3-oxo-3-phenylpropionate (94-02-0) + 1-iodo-propane (107-08-4) → 2-propyl-3-oxo-3-phenylpropionic acid ethyl ester (24317-96-2)

Guidance literature:

ethyl 3-oxo-3-phenylpropionate; With cetyltrimethylammonim bromide; potassium carbonate; In water; at 20 ℃; for 0.25h; Green chemistry;

1-iodo-propane; In water; for 16h; regioselective reaction; Heating; Green chemistry;

DOI:10.1039/c9nj03941d

Reference yield: 62.0%

2-Benzoyl-2-pentensaeureethylester (64354-19-4) → 2-propyl-3-oxo-3-phenylpropionic acid ethyl ester (24317-96-2)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; N-((1R,2S)-(1-hydroxy-1,2-diphenylethan-2-yl))-N'-(3,5-bis-(trifluoro-methyl)-phenyl)-thiourea; In water; at 100 ℃; for 24h; chemoselective reaction;

DOI:10.1039/c7ra00995j

upstream raw materials:

ethanol

2-benzoylpentanenitrile

ethyl 3-oxo-3-phenylpropionate

1-iodo-propane

Downstream raw materials:

2-hydroxyimino-valeric acid ethyl ester

benzoic acid ethyl ester

2-amino-6-phenyl-5-propyl-3H-pyrimidin-4-one

2,6-diphenyl-5-propyl-3H-pyrimidin-4-one