Ethyl 3-oxooctadecanoate

Base Information

• Chemical Name: Ethyl 3-oxooctadecanoate
• CAS No.: 62625-23-4
• Molecular Formula: C20H38O3
• Molecular Weight: 326.52
• European Community (EC) Number: 263-652-7
• DSSTox Substance ID: DTXSID5069594
• Nikkaji Number: J307.096D
• Wikidata: Q81996528
• Mol file: 62625-23-4.mol

Synonyms:Ethyl 3-oxooctadecanoate;62625-23-4;Octadecanoic acid, 3-oxo-, ethyl ester;Ethyl 3-oxostearate;EINECS 263-652-7;SCHEMBL6138462;DTXSID5069594;3-Oxooctadecanoic acid ethyl ester

Chemical Property of Ethyl 3-oxooctadecanoate

Chemical Property:

• Vapor Pressure: 2.99E-05mmHg at 25°C
• Boiling Point: 356.1°Cat760mmHg
• Flash Point: 146.1°C
• PSA: 43.37000
• Density: 0.908g/cm³
• LogP: 5.99000
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 326.28209507
• Heavy Atom Count: 23
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)CC(=O)OCC

Technology Process of Ethyl 3-oxooctadecanoate

There total 12 articles about Ethyl 3-oxooctadecanoate 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: 96.0%

ethyl potassium malonate (6148-64-7) + 1-hexadecylcarboxylic acid (57-10-3) → ethyl 3-oxooctadecanoate (62625-23-4)

Guidance literature:

1-hexadecylcarboxylic acid; With 1,1'-carbonyldiimidazole; In acetonitrile;

ethyl potassium malonate; With triethylamine; magnesium chloride; In acetonitrile; at 20 ℃;

With hydrogenchloride; In acetonitrile; for 0.25h; Further stages.;

DOI:10.1016/j.bmcl.2008.04.017

Reference yield: 90.0%

ethyl 3-hydroxyoctadecanoate (65144-03-8) → ethyl 3-oxooctadecanoate (62625-23-4)

Guidance literature:

With sodium dichromate; at 20 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2005.11.024

Reference yield: 80.0%

N-methoxy-N-methylhexadecanamide (153277-42-0) → ethyl 3-oxooctadecanoate (62625-23-4)

Guidance literature:

With n-butyllithium; diisopropylamine; In tetrahydrofuran; ethyl acetate;

upstream raw materials:

2-acetyl-3-oxo-octadecanoic acid ethyl ester

water

n-hexadecanoyl chloride

ethyl 3-hydroxyoctadecanoate

Downstream raw materials:

3-hydroxyoctadecanoic acid

ethyl 3-hydroxyoctadecanoate

1-Amino-4-nonadecanone hydrochloride

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