Ethyl 3-oxododecanoate

Base Information

• Chemical Name: Ethyl 3-oxododecanoate
• CAS No.: 67342-99-8
• Molecular Formula: C14H26 O3
• Molecular Weight: 242.359
• European Community (EC) Number: 266-656-7
• DSSTox Substance ID: DTXSID90986607
• Nikkaji Number: J310.231I
• Wikidata: Q82974580
• Mol file: 67342-99-8.mol

Synonyms:Ethyl 3-oxododecanoate;67342-99-8;Dodecanoic acid, 3-oxo-, ethyl ester;EINECS 266-656-7;C14H26O3;ethyl3-oxododecanoate;ethyl-3-oxododecanoate;SCHEMBL3777425;3-Oxododecanoic acid ethyl ester;DTXSID90986607;GUIDAPPCHUNALD-UHFFFAOYSA-N;MFCD20127688;AKOS030524064;s11632;DS-19331;CS-0152262;EN300-6498012;A923029

Chemical Property of Ethyl 3-oxododecanoate

Chemical Property:

• Vapor Pressure: 0.00298mmHg at 25°C
• Boiling Point: 284.4°Cat760mmHg
• Flash Point: 116°C
• PSA: 43.37000
• Density: 0.931g/cm³
• LogP: 3.64940
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 242.18819469
• Heavy Atom Count: 17
• Complexity: 212

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-Oxododecanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 3-oxododecanoate

There total 27 articles about Ethyl 3-oxododecanoate 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: 97.0%

diazoacetic acid ethyl ester (623-73-4) + caprinaldehyde (112-31-2) → ethyl 3-oxododecanoate (67342-99-8)

Guidance literature:

With tin chloride; In dichloromethane; at 0 - 20 ℃; for 2h;

DOI:10.1021/acs.orglett.9b04501

Reference yield: 96.0%

1-bromo-octane (111-83-1) + ethyl acetoacetate (141-97-9) → ethyl 3-oxododecanoate (67342-99-8)

Guidance literature:

ethyl acetoacetate; With sodium hydride; In tetrahydrofuran; at 0 ℃;

With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 0.5h;

1-bromo-octane; In tetrahydrofuran; hexane; at 0 - 20 ℃; for 16h;

DOI:10.1039/c7md00130d

Reference yield: 96.0%

1-Iodooctane (629-27-6) + ethyl acetoacetate (141-97-9) → ethyl 3-oxododecanoate (67342-99-8)

Guidance literature:

ethyl acetoacetate; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at 0 ℃; for 1h;

1-Iodooctane; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 14h; Further stages.;

DOI:10.1055/s-2006-942536

upstream raw materials:

ethanol

3-oxo-dodecanoic acid

diethyl 2-decanoylmalonate

1-decanoic acid

Downstream raw materials:

methyl nonyl ketone

β-ketodecanoic acid

2-[4-(2-Octyl-3-oxo-cyclohex-1-enyl)-phenyl]-propionic acid

N-(3-oxododecanoyl)-L-homoserine lactone