Octadeca-9,12-dieneperoxoic acid

Base Information

• Chemical Name: Octadeca-9,12-dieneperoxoic acid
• CAS No.: 7722-17-0
• Molecular Formula: C₁₈H₃₂O₃
• Molecular Weight: 296.45
• DSSTox Substance ID: DTXSID80998456
• Mol file: 7722-17-0.mol

Synonyms:OCTADECA-9,12-DIENEPEROXOIC ACID;DTXSID80998456

Chemical Property of Octadeca-9,12-dieneperoxoic acid

Chemical Property:

• XLogP3: 6.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 296.23514488
• Heavy Atom Count: 21
• Complexity: 282

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OO

Technology Process of Octadeca-9,12-dieneperoxoic acid

There total 2 articles about Octadeca-9,12-dieneperoxoic 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:

linoleoylperoxy radical (86683-30-9) → linoleic acid hydroperoxyde (7722-17-0)

Guidance literature:

With 2-tert-Butylphenol; sodium dodecyl-sulfate; at 40 ℃; Rate constant; with various phenols;

DOI:10.1021/ja00280a041

Reference yield:

linoleic acid (60-33-3,116745-32-5,26085-09-6,64080-88-2,7049-66-3,949900-18-9,60476-23-5,6144-28-1,67922-65-0,89718-18-3) → linoleic acid hydroperoxyde (7722-17-0)

Guidance literature:

With N-acetylcystein; 2,2'-azobis-(2,4-dimethylvaleronitrile); 2-tert-butyl-6-(octyltelluro)phenol; In water; chlorobenzene; at 42 ℃; Reagent/catalyst; Kinetics; Mechanism;

DOI:10.1002/chem.201300451

Reference yield:

Cholesteryl acetate (604-35-3) + linoleic acid hydroperoxide (7695-64-9,7722-17-0) → 7-ketocholesteryl acetate (809-51-8) + 3β-acetoxy-5,6-epoxycholestane (1256-31-1,2953-35-7,4092-57-3,14456-17-8,68974-60-7,68974-61-8,55400-50-5) + cholest-5-ene-3β,7-diol 3-monoacetate (17974-77-5,19317-90-9,98674-04-5,77059-25-7) + (9E,12E)-Octadeca-9,12-dienoic acid (3S,8S,9S,10R,13R,14S,17R)-3-acetoxy-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl ester (84619-16-9)

Guidance literature:

With iron(III)-acetylacetonate; In benzene; at 60 ℃; for 24h;

upstream raw materials:

linoleoylperoxy radical

linoleic acid

Downstream raw materials:

7-ketocholesteryl acetate

3β-acetoxy-5,6-epoxycholestane

cholest-5-ene-3β,7-diol 3-monoacetate

(9E,12E)-Octadeca-9,12-dienoic acid (3S,8S,9S,10R,13R,14S,17R)-3-acetoxy-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl ester