Ethyl 2-acetyldecanoate

Base Information

• Chemical Name: Ethyl 2-acetyldecanoate
• CAS No.: 24317-95-1
• Molecular Formula: C14H26O3
• Molecular Weight: 242.359
• Hs Code.: 2918300090
• European Community (EC) Number: 246-158-6
• DSSTox Substance ID: DTXSID40947147
• Nikkaji Number: J24.744H
• Mol file: 24317-95-1.mol

Synonyms:Ethyl 2-acetyldecanoate;24317-95-1;EINECS 246-158-6;Decanoic acid, 2-acetyl-, ethyl ester;ethyl 2-octylacetoacetate;(S)-(+)-Propyleneglycerol;SCHEMBL486944;DTXSID40947147;2-Acetyldecanoic acid ethyl ester;A817223

Chemical Property of Ethyl 2-acetyldecanoate

Chemical Property:

• Vapor Pressure: 0.00393mmHg at 25°C
• Refractive Index: 1.439
• Boiling Point: 279.8 °C at 760 mmHg
• Flash Point: 113.5 °C
• PSA: 43.37000
• Density: 0.929 g/cm³
• LogP: 3.50530
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 242.18819469
• Heavy Atom Count: 17
• Complexity: 224

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-acetyldecanoate

There total 11 articles about Ethyl 2-acetyldecanoate 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: 82.0%

1-bromo-octane (111-83-1) + ethyl acetoacetate (141-97-9) → ethyl 2-octylacetoacetate (24317-95-1)

Guidance literature:

ethyl acetoacetate; With sodium ethanolate; In ethanol; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

1-bromo-octane; With potassium iodide; In ethanol; for 24h; Inert atmosphere; Reflux;

DOI:10.1039/c0ob00978d

Reference yield: 50.0%

oct-1-ene (111-66-0,25068-25-1) + ethyl acetoacetate (141-97-9) → ethyl 2-octylacetoacetate (24317-95-1) + 3-Hexyl-1-acetyl-undecan-carbonsaeure-(1)-ethylester (95806-73-8)

Guidance literature:

With oxygen; cobalt(II) acetate; manganese(II) acetate; In acetic acid; at 90 ℃; for 5h;

DOI:10.1021/jo0162282

Reference yield: 49.0%

oct-1-ene (111-66-0,25068-25-1) + cobalt(II) acetate (71-48-7,917-69-1,5931-89-5,55881-15-7,68931-68-0,68931-69-1,93029-27-7) + manganese(II) acetate (638-38-0,993-02-2,2180-18-9,15411-95-7,22981-23-3,27004-39-3) + ethyl acetoacetate (141-97-9) → ethyl 2-octylacetoacetate (24317-95-1)

Guidance literature:

With nitrogen; acetic acid;

upstream raw materials:

1-Iodooctane

sodium ethanolate

ethyl acetoacetate

1-bromo-octane

Downstream raw materials:

methyl nonyl ketone

ethyl 2-bromodecanoate

2-methyldecanal

1-decanoic acid

Refernces

• 1、 Hu, Mingyou,Xie, Qiqiang,Li, Xinjin,Ni, Chuanfa,Hu, Jinbo. "Copper-Mediated Deuterotrifluoromethylation of α?Diazo Esters". supporting information. p. 469 - 472. Retrieved 2016/05/24.
• 2、 Hu, Mingyou,Ni, Chuanfa,Hu, Jinbo. "Copper-mediated trifluoromethylation of α-diazo esters with TMSCF3: The important role of water as a promoter". supporting information. p. 15257 - 15260. Retrieved 2012/10/29.