Ethyl 6-oxoheptanoate

Base Information

• Chemical Name: Ethyl 6-oxoheptanoate
• CAS No.: 30956-41-3
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• Hs Code.: 2918300090
• Mol file: 30956-41-3.mol

Synonyms:6-oxo-heptanoic acid ethyl ester;Heptanoic acid,6-oxo-,ethyl ester;ethyl 6-oxo-heptanoate;6-Oxo-heptansaeure-aethylester;

Chemical Property of Ethyl 6-oxoheptanoate

Chemical Property:

• Boiling Point: 107-108 °C(Press: 9 Torr)
• PSA: 43.37000
• Density: 0.9795 g/cm3(Temp: 25 °C)
• LogP: 1.69890

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Ethyl 6-oxoheptanoate

There total 17 articles about Ethyl 6-oxoheptanoate 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%

ethanol (64-17-5) + 2-acetylcyclopentanaone (1670-46-8) → ethyl 6-oxoheptanoate (30956-41-3)

Guidance literature:

With iron(III) chloride; at 80 ℃; for 16h;

DOI:10.1002/anie.201606792

Reference yield: 87.0%

(+/-)-Ethyl 6-hydroxyheptanoate (55099-47-3) → ethyl 6-oxoheptanoate (30956-41-3)

Guidance literature:

With dihydrogen peroxide; methyl tri-n-octyl ammonium hydrogen sulfate; sodium tungstate; In water; toluene; at 90 ℃; for 4h;

DOI:10.1246/bcsj.72.2287

Reference yield: 79.0%

ethanol (64-17-5) + 2-Methylcyclohexanone (583-60-8) → ethyl 6-oxoheptanoate (30956-41-3)

Guidance literature:

With oxygen; iron(III) chloride; In benzene; at 60 ℃; for 20h; under 760 Torr;

DOI:10.1021/jo00155a051

upstream raw materials:

ethyl 6-chloro-6-oxohexanoate

dimethylcadmium

methylzinc iodide

methylaluminum dichloride

Downstream raw materials:

(+/-)-Ethyl 6-hydroxyheptanoate

ethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate

2-Benzyliden-6-methylcycloheptanon

1-Methyl-2-(4-methyl-pent-3-enyl)-4-[1-phenyl-meth-(E)-ylidene]-cycloheptane

Refernces

• 1、 Ballet, Steven,Elsocht, Mathias,Hollanders, Charlie,Van Den Hauwe, Robin. "Efficient Synthesis of Polysubstituted 1,5-Benzodiazepinone Dipeptide Mimetics via an Ugi-4CR-Ullmann Condensation Sequence". supporting information. p. 1719 - 1724. Retrieved 2021/08/20.
• 2、 Just-Baringo, Xavier,Clark, Jemma,Gutmann, Matthias J.,Procter, David J.. "Selective Synthesis of Cyclooctanoids by Radical Cyclization of Seven-Membered Lactones: Neutron Diffraction Study of the Stereoselective Deuteration of a Chiral Organosamarium Intermediate". supporting information. p. 12499 - 12502. Retrieved 2016/10/13.