Ethyl 8-oxododecanoate

Base Information

• Chemical Name: Ethyl 8-oxododecanoate
• CAS No.: 97037-83-7
• Molecular Formula: C₁₄H₂₆O₃
• Molecular Weight: 242.359
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID80539348
• Wikidata: Q82415075
• Mol file: 97037-83-7.mol

Synonyms:ETHYL 8-OXODODECANOATE;97037-83-7;MFCD01320343;ETHYL8-OXODODECANOATE;SCHEMBL4423362;DTXSID80539348;AKOS016022951

Chemical Property of Ethyl 8-oxododecanoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 332.415oC at 760 mmHg
• Flash Point: 141.524oC
• PSA: 43.37000
• Density: 0.931g/cm3
• LogP: 3.64940
• XLogP3: 3.2
• 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

Ethyl8-oxododecanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)CCCCCCC(=O)OCC

Technology Process of Ethyl 8-oxododecanoate

There total 4 articles about Ethyl 8-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%

ethyl 8-chloro-8-oxooctanoate (14113-02-1) + butyl-iodo-manganese (62485-87-4) → ethyl 8-oxododecanoate (97037-83-7)

Guidance literature:

In diethyl ether; for 2h; Ambient temperature;

DOI:10.1055/s-1985-31101

Reference yield: 96.0%

ethyl 8-chloro-8-oxooctanoate (14113-02-1) + butyl magnesium bromide (693-04-9) → ethyl 8-oxododecanoate (97037-83-7)

Guidance literature:

butyl magnesium bromide; With zinc(II) chloride; In diethyl ether; at -78 - 0 ℃;

ethyl 8-chloro-8-oxooctanoate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; for 2h;

Reference yield: 91.0%

butyl-iodo-manganese (62485-87-4) + 8-Ethoxycarbonyloxy-8-oxo-octanoic acid ethyl ester (97037-89-3) → ethyl 8-oxododecanoate (97037-83-7)

Guidance literature:

In diethyl ether; for 2h; Ambient temperature;

DOI:10.1055/s-1985-31101

upstream raw materials:

ethyl 8-chloro-8-oxooctanoate

butyl-iodo-manganese

8-Ethoxycarbonyloxy-8-oxo-octanoic acid ethyl ester

butyl magnesium bromide

Downstream raw materials:

8-oxododecanoic acid

C₂₇H₃₉N₅O₆S

Refernces

• 1、 Friour, G.,Cahiez, G.,Normant, J. F.. "Organomanganese(II) Reagents; X. A Convenient Preparation of Various Acetoxyketones, Keto-nitriles, Keto-esters, Keto-acids, Diketones, and Heterocyclic Ketones (Acylheterocycles) via Acylation of Organomanganese(II) Reagents". . p. 50 - 54. Retrieved 2007/10/02.