5-oxododecanoic Acid

Base Information

• Chemical Name: 5-oxododecanoic Acid
• CAS No.: 3637-16-9
• Molecular Formula: C12H22O3
• Molecular Weight: 214.305
• Hs Code.: 2918300090
• UNII: EMY87W56WG
• DSSTox Substance ID: DTXSID50189894
• Nikkaji Number: J206.131G
• Wikidata: Q27277251
• Metabolomics Workbench ID: 1663
• Mol file: 3637-16-9.mol

Synonyms:5-oxododecanoic Acid;5-Oxolauric acid;3637-16-9;Dodecanoic acid, 5-oxo-;FEMA No. 4458;UNII-EMY87W56WG;EMY87W56WG;SCHEMBL7708163;DTXSID50189894;CHEBI:180015;LMFA01060183;AKOS003238377;Q27277251

Chemical Property of 5-oxododecanoic Acid

Chemical Property:

• PSA: 54.37000
• LogP: 3.17090
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 214.15689456
• Heavy Atom Count: 15
• Complexity: 187

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)CCCC(=O)O

Technology Process of 5-oxododecanoic Acid

There total 1 articles about 5-oxododecanoic 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: 81.0%

2-heptylcyclopentanone (137-03-1) → 5-dodecanolide (713-95-1) + 5-oxododecanoic acid (3637-16-9) + 5-hydroxydodecanoic acid (7779-95-5)

Guidance literature:

With water; dihydrogen peroxide; at 40 ℃; for 12h; Reagent/catalyst;

DOI:10.1246/cl.140159

Reference yield: 65.3%

5-oxododecanoic acid (3637-16-9) → 5-dodecanolide (713-95-1)

Guidance literature:

With hydrogen; magnesium sulfate; In tetrahydrofuran; at 160 ℃; for 16h; under 6080.41 Torr; Solvent; Reagent/catalyst; Pressure; Temperature; Catalytic behavior; Autoclave; Molecular sieve;

Reference yield:

5-oxododecanoic acid (3637-16-9) → δ-heptyl-Δα,β-pentenolide (16400-72-9) + δ-heptyl-Δγ,δ-pentenolide

Guidance literature:

With silver nitrate; copper(II) sulfate; In water; at 60 ℃; for 3h; Title compound not separated from byproducts;

DOI:10.1007/BF00955294

upstream raw materials:

2-heptylcyclopentanone

Downstream raw materials:

lauric acid

5-hydroxydodecanoic acid

δ-heptyl-Δ^α,β-pentenolide

(2R,5R)-5-Butyl-2-heptylpyrrolidine

Refernces