Dodecanoic acid, 4-oxo-, ethyl ester

Base Information

• Chemical Name: Dodecanoic acid, 4-oxo-, ethyl ester
• CAS No.: 59941-35-4
• Molecular Formula: C14H26O3
• Molecular Weight: 242.359
• DSSTox Substance ID: DTXSID10483446
• Nikkaji Number: J474.331H
• Wikidata: Q82320790
• Mol file: 59941-35-4.mol

Synonyms:Dodecanoic acid, 4-oxo-, ethyl ester;59941-35-4;ethyl 4-ketododecanoate;DTXSID10483446

Chemical Property of Dodecanoic acid, 4-oxo-, ethyl ester

Chemical Property:

• XLogP3: 3.6
• 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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(=O)CCC(=O)OCC

Technology Process of Dodecanoic acid, 4-oxo-, ethyl ester

There total 2 articles about Dodecanoic acid, 4-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:

1-Iodooctane (629-27-6) + ethyl 3-(chloroformyl)propionate (14794-31-1,97900-84-0) → Hexadecane (544-76-3) + 4-Oxododecansaeure-ethylester (59941-35-4)

Guidance literature:

With manganese; (1,2-dimethoxyethane)dichloronickel(II); 4,4',4-tri-tert-butyl-2,2':6',2-terpyridine; In N,N-dimethyl acetamide; at 0 ℃; Inert atmosphere;

DOI:10.1021/ol300217x

Reference yield:

1-Iodooctane (629-27-6) + ethyl 3-(chloroformyl)propionate (14794-31-1,97900-84-0) → n-chlorooctane (111-85-3) + 4-Oxododecansaeure-ethylester (59941-35-4)

Guidance literature:

With manganese; (1,2-dimethoxyethane)dichloronickel(II); In N,N-dimethyl acetamide; at 0 ℃; Inert atmosphere;

DOI:10.1021/ol300217x

Reference yield: 88.0%

4-Oxododecansaeure-ethylester (59941-35-4) → 4-oxododecanoic acid (4144-55-2)

Guidance literature:

With potassium hydroxide; In methanol;

DOI:10.1016/j.bmcl.2006.01.054

upstream raw materials:

1-Iodooctane

ethyl 3-(chloroformyl)propionate

Downstream raw materials:

(R)-4-dodecanolide

4-oxododecanoic acid

gamma-dodecalactone

Refernces