2-Oxoundecanoic acid

Base Information

• Chemical Name: 2-Oxoundecanoic acid
• CAS No.: 34634-92-9
• Molecular Formula: C₁₁H₂₀O₃
• Molecular Weight: 200.278
• DSSTox Substance ID: DTXSID80415613
• Nikkaji Number: J206.119H
• Wikidata: Q82224549
• Metabolomics Workbench ID: 1594
• Mol file: 34634-92-9.mol

Synonyms:2-oxoundecanoic acid;2-oxo-undecanoic acid;34634-92-9;oxoundecanoic acid;LMFA01060087;SCHEMBL6817517;DTXSID80415613;CHEBI:180332

Chemical Property of 2-Oxoundecanoic acid

Chemical Property:

• PSA: 54.37000
• LogP: 2.78080
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 200.14124450
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)C(=O)O

Technology Process of 2-Oxoundecanoic acid

There total 10 articles about 2-Oxoundecanoic acid 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:

N-(ethoxycarbonyl)-2-(ethoxycarbonyloxy)-2-undecenamide (144220-19-9) → 2-oxoundecanoic acid (34634-92-9)

Guidance literature:

With potassium hydroxide; In ethanol; at 78 ℃; for 5h;

Reference yield:

nonylmagnesium bromide (39691-62-8) → 2-oxoundecanoic acid (34634-92-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.)Et₂O, heating, 1 h 2.)heating, 1 h

2: 10percent aq. alkali / 2 h / Heating

With 10percent aq. alkali;

Reference yield:

decanoic acid ethyl ester (110-38-3) + oxalic acid diethyl ester (95-92-1) → 2-oxoundecanoic acid (34634-92-9)

Guidance literature:

With pyridine; potassium ethoxide; at 70 ℃; Kochen des erhaltenen 2-Oxal-caprinsaeure-diaethylesters mit verduennter Salzsaeure;

upstream raw materials:

ethyl 2-oxoundecanoate

decanoic acid ethyl ester

oxalic acid diethyl ester

Nonylglyoxalsaeure-butylester

Refernces

• 1、 Kashinskii, V. N.,Demanov, V. A.,Lapkin, I.I.. "SYNTHETIC METHODS BASED ON HALOGENOMAGNESIUM ALCOHOLATES. X. REACTIONS OF LITHIUM AND HALOGENOMAGNESIUM ALCOHOLATES WITH CHLORINATED ETHERS". . p. 72 - 75. Retrieved 2007/10/02.