Eicosanoic acid, 3-oxo-, ethyl ester

Base Information

• Chemical Name: Eicosanoic acid, 3-oxo-, ethyl ester
• CAS No.: 7146-82-9
• Molecular Formula: C22H42 O3
• Molecular Weight: 354.574
• European Community (EC) Number: 230-456-8
• NSC Number: 60669
• UNII: OVM6SZF0TA
• DSSTox Substance ID: DTXSID2064571
• Nikkaji Number: J227.394B
• Wikidata: Q81991666
• Mol file: 7146-82-9.mol

Synonyms:ETHYL STEAROYLACETATE;Ethyl 3-oxoicosanoate;7146-82-9;Eicosanoic acid, 3-oxo-, ethyl ester;OVM6SZF0TA;Eicosanoic acid,3-oxo-, ethyl ester;EINECS 230-456-8;NSC 60669;NSC-60669;Ethylstearoylacetate;UNII-OVM6SZF0TA;SCHEMBL1903946;3-Oxoicosanoic acid ethyl ester;DTXSID2064571;3-oxoeicosanoic acid ethyl ester;NSC60669;AKOS024429366;FT-0636363

Chemical Property of Eicosanoic acid, 3-oxo-, ethyl ester

Chemical Property:

• Vapor Pressure: 6.3E-06mmHg at 25°C
• Boiling Point: 378.4°C at 760 mmHg
• Flash Point: 154.8°C
• PSA: 43.37000
• Density: 0.903g/cm³
• LogP: 6.77020
• XLogP3: 8.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 20
• Exact Mass: 354.31339520
• Heavy Atom Count: 25
• Complexity: 312

Purity/Quality:

99% ^*data from raw suppliers

ETHYL STEAROYLACETATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Eicosanoic acid, 3-oxo-, ethyl ester

There total 7 articles about Eicosanoic acid, 3-oxo-, 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: 37.0%

→ 3-oxoeicosanoic acid ethyl ester (7146-82-9)

Guidance literature:

Reference yield:

Octadecanimidic acid methyl ester; hydrochloride (35378-90-6) → 3-oxoeicosanoic acid ethyl ester (7146-82-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / N(C₂H₅)3 / benzene / Heating; overnight

2: 1.) C₂H₅ONa, 2.) HCl aq. / 1.) ethanol, reflux, overnight

With hydrogenchloride; sodium ethanolate; triethylamine; In benzene;

DOI:10.1055/s-1981-29361

Reference yield:

2-acetyl-3-oxo-eicosanoic acid ethyl ester (20226-58-8) → 3-oxoeicosanoic acid ethyl ester (7146-82-9)

Guidance literature:

With sodium ethanolate; In ethanol; for 5h; Ambient temperature;

DOI:10.1002/jhet.5570180603

upstream raw materials:

Aethyl-diaethoxyphosphoryl-3-oxoeicosanoat

ethanol

5-(1-Amino-octadecylidene)-2,2-dimethyl-[1,3]dioxane-4,6-dione

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

Downstream raw materials:

nonadecan-2-one

2-[4-(4-diethylamino-phenylimino)-3-heptadecyl-5-oxo-4,5-dihydro-pyrazol-1-yl]-benzothiazole-6-carboxylic acid

2-[4-(4-diethylamino-phenylimino)-3-heptadecyl-5-oxo-4,5-dihydro-pyrazol-1-yl]-benzothiazole-6,7-dicarboxylic acid

2-[4-(4-diethylamino-phenylimino)-3-heptadecyl-5-oxo-4,5-dihydro-pyrazol-1-yl]-benzothiazole-5,7-dicarboxylic acid

Refernces

• 1、 Celerier, Jean-Pierre,Deloisy, Elisabeth,Kapron, Pierre,Lhommet, Gerard,Maitte, Pierre. "Imidate Chemistry: A General and Versatile Synthesis of β-Enaminoesters, β-Ketoesters, and Methyl Ketones from Nitriles". . p. 130 - 133. Retrieved 2007/10/02.